Exact Mass: 647.3179646000001

Exact Mass Matches: 647.3179646000001

Found 127 metabolites which its exact mass value is equals to given mass value 647.3179646000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Beiwutine

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-Acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

C33H45NO12 (647.294161)

Beiwutine is a benzoate ester. Beiwutine is a natural product found in Aconitum kusnezoffii with data available. Beiwutine (10-Hydroxy mesaconitine) is a diester diterpenoid alkaloid[1]. Beiwutine (10-Hydroxy mesaconitine) is a diester diterpenoid alkaloid[1].

Aljesaconitine A

C34H49NO11 (647.3305444)

(16S)-20-Aethyl-1alpha,6alpha,16-trimethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitan-3alpha,8,13-triol|(16S)-20-ethyl-1alpha,6alpha,16-trimethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitane-3alpha,8,13-triol|veratroylpseudaconine

(16S)-20-Aethyl-1alpha,6alpha,16-trimethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitan-3alpha,8,13-triol|(16S)-20-ethyl-1alpha,6alpha,16-trimethoxy-4-methoxymethyl-14alpha-veratroyloxy-aconitane-3alpha,8,13-triol|veratroylpseudaconine

C34H49NO11 (647.3305444)

Ala Trp Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H37N7O5 (647.2856032)

Glu Lys Trp Trp

(4S)-4-amino-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}butanoic acid

C33H41N7O7 (647.3067315999999)

Glu Gln Trp Trp

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Glu Trp Lys Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C33H41N7O7 (647.3067315999999)

Glu Trp Gln Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Glu Trp Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C33H41N7O7 (647.3067315999999)

Glu Trp Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C32H37N7O8 (647.2703482000001)

Phe Arg Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Phe Tyr Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Phe Tyr Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C33H41N7O7 (647.3067315999999)

Lys Glu Trp Trp

(4S)-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C33H41N7O7 (647.3067315999999)

Lys Trp Glu Trp

(4S)-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid

C33H41N7O7 (647.3067315999999)

Lys Trp Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C33H41N7O7 (647.3067315999999)

Met Arg Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C28H45N11O5S (647.332568)

Met Arg Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Met Trp Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Gln Glu Trp Trp

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Gln Trp Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Gln Trp Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H37N7O8 (647.2703482000001)

Arg Phe Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Arg Met Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C28H45N11O5S (647.332568)

Arg Met Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Arg Arg Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C28H45N11O5S (647.332568)

Arg Arg Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C28H45N11O5S (647.332568)

Arg Thr Trp Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Arg Trp Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Arg Trp Arg Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

C28H45N11O5S (647.332568)

Arg Trp Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Arg Trp Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C32H41N9O6 (647.3179646000001)

Arg Tyr Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Arg Tyr Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C33H41N7O7 (647.3067315999999)

Thr Arg Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Thr Trp Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Thr Trp Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C32H41N9O6 (647.3179646000001)

Trp Ala Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H37N7O5 (647.2856032)

Trp Glu Lys Trp

(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]butanoic acid

C33H41N7O7 (647.3067315999999)

Trp Glu Gln Trp

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Trp Glu Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C33H41N7O7 (647.3067315999999)

Trp Glu Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C32H37N7O8 (647.2703482000001)

Trp Lys Glu Trp

(4S)-4-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C33H41N7O7 (647.3067315999999)

Trp Lys Trp Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C33H41N7O7 (647.3067315999999)

Trp Met Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Trp Gln Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C32H37N7O8 (647.2703482000001)

Trp Gln Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H37N7O8 (647.2703482000001)

Trp Arg Met Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanoic acid

C28H45N11O5S (647.332568)

Trp Arg Arg Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

C28H45N11O5S (647.332568)

Trp Arg Thr Trp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Trp Arg Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C32H41N9O6 (647.3179646000001)

Trp Thr Arg Trp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C32H41N9O6 (647.3179646000001)

Trp Thr Trp Arg

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C32H41N9O6 (647.3179646000001)

Trp Trp Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C36H37N7O5 (647.2856032)

Trp Trp Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]hexanoic acid

C33H41N7O7 (647.3067315999999)

Trp Trp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C32H37N7O8 (647.2703482000001)

Trp Trp Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]pentanedioic acid

C33H41N7O7 (647.3067315999999)

Trp Trp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

C32H37N7O8 (647.2703482000001)

Trp Trp Arg Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid

C32H41N9O6 (647.3179646000001)

Trp Trp Thr Arg

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoic acid

C32H41N9O6 (647.3179646000001)

Trp Trp Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C36H37N7O5 (647.2856032)

Tyr Phe Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Tyr Phe Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C33H41N7O7 (647.3067315999999)

Tyr Arg Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C33H41N7O7 (647.3067315999999)

Tyr Arg Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C33H41N7O7 (647.3067315999999)

Tyr Tyr Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C33H41N7O7 (647.3067315999999)

Tyr Tyr Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C33H41N7O7 (647.3067315999999)

OKODiA-PE

1-(9Z-octadecenoyl)-2-(5-oxo-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoethanolamine

C31H54NO11P (647.3434304)

potassium hydrotris(3-(4-cumenyl)-5-methylpyrazol-1-yl)borate

C39H45BKN6 (647.3435640000001)

Lercanidipine hydrochloride

C36H42ClN3O6 (647.2761982)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

2,3,7,8,12,13,17,18-octaethyl-21h,23h-porphine iron(iii) acetate

C38H47FeN4O2 (647.3048212)

(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate

C32H45N3O9S-2 (647.287636)

Protectin conjugate in tissue regeneration 1(2-)

C32H45N3O9S-2 (647.287636)

10-OH-Mesaconitine

C33H45NO12 (647.294161)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8,12-trien-2-yl]propanamide

C31H53NO13 (647.3516728)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]pentanamide

C31H53NO13 (647.3516728)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptadeca-4,8,12-trien-2-yl]acetamide

C31H53NO13 (647.3516728)

N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypentadeca-4,8,12-trien-2-yl]butanamide

C31H53NO13 (647.3516728)

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C35H54NO8P (647.3586854)

(13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(2-)

C32H45N3O9S (647.287636)

A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3.

16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2-)

C32H45N3O9S (647.287636)

A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of 16(S)-glutathionyl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3.

(3s,4r,5r,7s,9s,10r,12s,13r,14r,16s,21s,22r,23r,24r)-24-[(1r,2s,3e)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-22,23,28-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.0³,¹³.0⁴,⁹.0¹⁰,¹².0¹⁴,¹⁶]nonacos-1(28)-ene-2,27-dione

(3s,4r,5r,7s,9s,10r,12s,13r,14r,16s,21s,22r,23r,24r)-24-[(1r,2s,3e)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-22,23,28-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.0³,¹³.0⁴,⁹.0¹⁰,¹².0¹⁴,¹⁶]nonacos-1(28)-ene-2,27-dione

C35H53NO10 (647.3669278)

(2r,5r,6s,8r,10r,17s)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C34H49NO11 (647.3305444)

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C34H49NO11 (647.3305444)

(1s,19s,22s,26r,28s,31r)-2,22-dihydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹².0²²,³¹.0²³,²⁸]hentriaconta-2,4,6(14),7(12),15,23-hexaene-17,25-dione

(1s,19s,22s,26r,28s,31r)-2,22-dihydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹².0²²,³¹.0²³,²⁸]hentriaconta-2,4,6(14),7(12),15,23-hexaene-17,25-dione

C38H49NO8 (647.3457994)

11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

C34H49NO11 (647.3305444)

(2s)-n-[(1s)-1-{[(4s)-4-{[(1s)-4-amino-1-{[(3r)-1-hydroxy-2-oxopiperidin-3-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}-4-(methylamino)butyl](hydroxy)carbamoyl}-2-hydroxyethyl]-5-(n-hydroxyformamido)-2-(methylamino)pentanimidic acid

(2s)-n-[(1s)-1-{[(4s)-4-{[(1s)-4-amino-1-{[(3r)-1-hydroxy-2-oxopiperidin-3-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}-4-(methylamino)butyl](hydroxy)carbamoyl}-2-hydroxyethyl]-5-(n-hydroxyformamido)-2-(methylamino)pentanimidic acid

C26H49N9O10 (647.3602214)

5-amino-2-{[5-(n,3-dihydroxy-2-{[1-hydroxy-5-(n-hydroxyformamido)-2-(methylamino)pentylidene]amino}propanamido)-1-hydroxy-2-(methylamino)pentylidene]amino}-n-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic acid

5-amino-2-{[5-(n,3-dihydroxy-2-{[1-hydroxy-5-(n-hydroxyformamido)-2-(methylamino)pentylidene]amino}propanamido)-1-hydroxy-2-(methylamino)pentylidene]amino}-n-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic acid

C26H49N9O10 (647.3602214)

11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C34H49NO11 (647.3305444)

8-(acetyloxy)-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO12 (647.294161)

(3s,4r,5r,7s,9s,10r,12s,13r,14s,16s,21s,22r,23r,24r)-24-[(1r,2s)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,22,23-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.0³,¹³.0⁴,⁹.0¹⁰,¹².0¹⁴,¹⁶]nonacos-1-ene-27,28-dione

(3s,4r,5r,7s,9s,10r,12s,13r,14s,16s,21s,22r,23r,24r)-24-[(1r,2s)-1,2-dihydroxy-3-methylpent-3-en-1-yl]-2,22,23-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.0³,¹³.0⁴,⁹.0¹⁰,¹².0¹⁴,¹⁶]nonacos-1-ene-27,28-dione

C35H53NO10 (647.3669278)

(1r,2s,3s,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17r,18r)-8-(acetyloxy)-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1r,2s,3s,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17r,18r)-8-(acetyloxy)-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO12 (647.294161)

{[(2r,3s,5s,6r,7s,8z,10s,11s,12z,14z)-16,22,26-trihydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-20-thia-17,23-diazatricyclo[16.7.1.0¹⁹,²⁴]hexacosa-1(25),8,12,14,16,18(26),19(24),22-octaen-10-yl]oxy}methanimidic acid

{[(2r,3s,5s,6r,7s,8z,10s,11s,12z,14z)-16,22,26-trihydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-20-thia-17,23-diazatricyclo[16.7.1.0¹⁹,²⁴]hexacosa-1(25),8,12,14,16,18(26),19(24),22-octaen-10-yl]oxy}methanimidic acid

C32H45N3O9S (647.287636)

24-(1,2-dihydroxy-3-methylpent-3-en-1-yl)-2,22,23-trihydroxy-5,7,14,21-tetramethyl-11,15,26-trioxa-25-azahexacyclo[23.2.2.0³,¹³.0⁴,⁹.0¹⁰,¹².0¹⁴,¹⁶]nonacos-1-ene-27,28-dione

C35H53NO10 (647.3669278)

({22,26-dihydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16-oxo-20-thia-17,23-diazatricyclo[16.7.1.0¹⁹,²⁴]hexacosa-1(25),8,12,14,18(26),19(24),22-heptaen-10-yl}oxy)methanimidic acid

C32H45N3O9S (647.287636)

{[(2r,3s,5s,6r,7s,8e,10s,11s,12z,14e)-16,22,26-trihydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-20-thia-17,23-diazatricyclo[16.7.1.0¹⁹,²⁴]hexacosa-1(25),8,12,14,16,18(26),19(24),22-octaen-10-yl]oxy}methanimidic acid

{[(2r,3s,5s,6r,7s,8e,10s,11s,12z,14e)-16,22,26-trihydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-20-thia-17,23-diazatricyclo[16.7.1.0¹⁹,²⁴]hexacosa-1(25),8,12,14,16,18(26),19(24),22-octaen-10-yl]oxy}methanimidic acid

C32H45N3O9S (647.287636)

(1r,2s,3s,4r,5r,6s,7s,8s,13r,14r,16s,17r,18r)-8-(acetyloxy)-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

(1r,2s,3s,4r,5r,6s,7s,8s,13r,14r,16s,17r,18r)-8-(acetyloxy)-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

C33H45NO12 (647.294161)

2,22-dihydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹².0²²,³¹.0²³,²⁸]hentriaconta-2,4,6(14),7(12),15,23-hexaene-17,25-dione

2,22-dihydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹².0²²,³¹.0²³,²⁸]hentriaconta-2,4,6(14),7(12),15,23-hexaene-17,25-dione

C38H49NO8 (647.3457994)

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate

C34H49NO11 (647.3305444)