Exact Mass: 882.2702883999999
Exact Mass Matches: 882.2702883999999
Found 38 metabolites which its exact mass value is equals to given mass value 882.2702883999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Corynebactin
C39H42N6O18 (882.2555472000001)
A crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron.
Cyanine dye 3
C43H54N4O12S2 (882.3179484000001)
Dox-ga3
bi-(5S,6S,7R,8S)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-<2-(2-penylethyl)chromonyl-6,7-dioxy>chromone|bi-(5S,6S,7R,8S)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-[2-(2-penylethyl)chromonyl-6,7-dioxy]chromone
(3,6-O-diferuloyl)-beta-D-fructofuranosyl-(2->1)-(4-O-p-coumaroyl-6-O-acetyl)-alpha-D-glucopyranoside|quiquesetinerviuside D
(1-O-p-coumaroyl-3,6-O-diferuloyl)-beta-D-fructofuranosyl-(2->1)-(2-O-acetyl)-alpha-D-glucopyranoside|smilaside K
(3,6-O-diferuloyl)-beta-D-fructofuranosyl-(2->1)-(4-O-p-coumaroyl-2-O-acetyl)-alpha-D-glucopyranoside|quiquesetinerviuside E
Bacillibactin
C39H42N6O18 (882.2555472000001)
Bacillibactin is a catechol-based siderophore secreted by members of the genus Bacillus, including Bacillus anthracis and Bacillus subtilis. It is involved in the chelation of ferric iron (Fe3+) from the surrounding environment and is subsequently transferred into the bacterial cytoplasm via the use of ABC transporters.[1] The biosynthetic pathway of bacillibactin was first identified by May et al. in the Gram-positive B. subtilis.[2] The siderophore is synthesized through multimodular non ribosomal peptide synthetases (NRPS), similar to enterobactin. However, unlike enterobactin, the genes responsible for encoding the bacillibactin synthetases are all located in one operon. This gene cluster is termed dhb – cognate to the catecholic structure of 2,3-dihydroxybenzoate (DHB) – and it can be divided into the specific genes responsible for encoding the enzymes. The three genes are dhbE, dhbB, and dhbF, which get translated into DhbE, DhbB, and DhbF synthetases. Notably, DhbF was characterized as a dimodular NRPS, unlike the monomodular EntF synthetase for enterobactin. The structure of bacillibactin consists of three 2,3-dihydroxybenzoate (DHB) groups attached to a cyclic amino acid core synthesized by multimodular NRPS. It is the condensation of three DHB-Glycine-Threonine units that ultimately leads to the formation of bacillibactin. In the first step of NRPS, the relevant amino acid is adenylated and transferred to the thiol group of the adjacent synthetases. DhbE is selective for DHB, DhbF1 is selective for glycine, and DhbF2 is selective for threonine. DHB is first adenylated by DhbE and transferred to DhbB's thiol group in the second step of NRPS. Once the relevant compounds are thiolated, the construction of bacillibactin begins. After DHB is transferred to DhbB, an adjacent synthetase orchestrates the condensation of DHB and glycine onto DhbF1. Then the DHB-Gly unit is further condensed onto the threonine unit on DhbF2, resulting in a DHB-Gly-Thr unit. This process is repeated twice more. However at the end of the third iteration, the hydroxyl group from the first threonine intramolecularly attacks the synthetase-ester bond to create the cyclic amino acid core for bacillibactin.
2,9,16,23-TETRAPHENOXY-29H,31H-PHTHALOCYANINE
C56H34N8O4 (882.2702883999999)
1,8,15,22-TETRAPHENOXY-29H,31H-PHTHALOCYANINE
C56H34N8O4 (882.2702883999999)
Cyanine dye 3
C43H54N4O12S2 (882.3179484000001)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004396 - Coloring Agents > D002232 - Carbocyanines
3,4,5-trihydroxy-6-[[4-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]oxane-2-carboxylic acid
n-{7,11-bis[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl}-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}ethanimidic acid
C39H42N6O18 (882.2555472000001)
ah18
{"Ingredient_id": "HBIN014920","Ingredient_name": "ah18","Alias": "2-phenethyl-7-[[(6R,7S)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]-6-[[(6S,8R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one; AC1NSUVJ","Ingredient_formula": "C51H46O14","Ingredient_Smile": "C1=CC=C(C=C1)CCC2=CC(=O)C3=CC(=C(C=C3O2)OC4C(C(C(C5=C4C(=O)C=C(O5)CCC6=CC=CC=C6)O)O)O)OC7C(C(C(C8=C7C(=O)C=C(O8)CCC9=CC=CC=C9)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14195","TCMID_id": "768","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ah19a
{"Ingredient_id": "HBIN014921","Ingredient_name": "ah19a","Alias": "NA","Ingredient_formula": "C51H46O14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14196","TCMID_id": "769","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ah19b
{"Ingredient_id": "HBIN014922","Ingredient_name": "ah19b","Alias": "NA","Ingredient_formula": "C51H46O14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14197","TCMID_id": "770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ah20
{"Ingredient_id": "HBIN014923","Ingredient_name": "ah20","Alias": "AC1NSUVY; 2-phenethyl-5-[[(5S,8S)-5,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-6-yl]oxy]-8-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-phenethyl-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one","Ingredient_formula": "C51H46O14","Ingredient_Smile": "C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)OC4=C5C(=O)C=C(OC5=C(C=C4)OC6C(C(C(C7=C6C(=O)C=C(O7)CCC8=CC=CC=C8)O)O)O)CCC9=CC=CC=C9)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14198","TCMID_id": "771","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r,3r,4s,5s)-3-(acetyloxy)-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-3-({2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-3-({2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]but-2-enoyl}oxy)butanoyl}oxy)butanoic acid
C39H42N6O18 (882.2555472000001)
(2s,3r)-2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-3-{[(2s,3r)-2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-3-{[(2z)-2-[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]but-2-enoyl]oxy}butanoyl]oxy}butanoic acid
C39H42N6O18 (882.2555472000001)
[5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
n-[(2r,3s,6r,7s,10r,11s)-7,11-bis[(2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}ethanimidic acid
C39H42N6O18 (882.2555472000001)