Exact Mass: 1367.2599

LL 14E605beta

Glycothiohexide alpha

C55H68FeN11O19P3S+2 (1367.2976)

Calicheamicin

S-[6-[[5-[5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(5E,13Z)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate

C55H74IN3O21S4 (1367.2742)

Enediyne aminoglycosides derived from the bacterium MICROMONOSPORA ECHINOSPORA that are used as antineoplastic antibiotics. They bind to DNA in both healthy and tumor cells, resulting in strand scission and cell death. Calicheamicin is a naturally occurring organic compound that belongs to the class of macrocyclic lactones. It is renowned for its potent antitumor activity and was originally isolated from soil as an antibiotic. The compound's distinctive feature is its ability to bind to DNA and induce double-strand DNA breaks, which is a highly effective mechanism for inhibiting the proliferation of tumor cells. Due to its significant cytotoxicity, Calicheamicin and its derivatives have been the subject of research and development for antitumor drugs. However, the clinical application of Calicheamicin is limited by its strong toxicity. It is often used in combination with other treatments to reduce side effects and enhance its therapeutic efficacy. D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D000080084 - Calicheamicins

Heme C-CoA; (Acyl-CoA); [M+H]+

C55H68FeN11O19P3S (1367.2976)

DrugBank-DB02182-CoA; (Acyl-CoA); [M+H]+

2-[carboxy-[3-[(Z)-octatriacont-27-enoyl]oxy-2-[(29Z,32Z)-tetraconta-29,32-dienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[2-[(27Z,30Z)-octatriaconta-27,30-dienoyl]oxy-3-[(Z)-tetracont-29-enoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[3-dotetracontanoyloxy-2-[(22Z,25Z,28Z)-hexatriaconta-22,25,28-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[2-[(33Z,36Z)-tetratetraconta-33,36-dienoyl]oxy-3-[(Z)-tetratriacont-23-enoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[3-[(Z)-tetratetracont-33-enoyl]oxy-2-[(23Z,26Z)-tetratriaconta-23,26-dienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[2-[(31Z,34Z)-dotetraconta-31,34-dienoyl]oxy-3-[(Z)-hexatriacont-25-enoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[3-[(Z)-dotetracont-31-enoyl]oxy-2-[(25Z,28Z)-hexatriaconta-25,28-dienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[2-[(28Z,31Z,34Z)-dotetraconta-28,31,34-trienoyl]oxy-3-hexatriacontanoyloxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[2-[(30Z,33Z,36Z)-tetratetraconta-30,33,36-trienoyl]oxy-3-tetratriacontanoyloxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[3-octatriacontanoyloxy-2-[(26Z,29Z,32Z)-tetraconta-26,29,32-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[carboxy-[3-tetratetracontanoyloxy-2-[(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

2-[(21z)-30-{[(2s,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(21z)-30-{[(2s,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1s,18s,21e,28s,29s,30s)-30-{[(2s,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1s,18s,21e,28s,29s,30s)-30-{[(2s,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1r,18s,21e,28r,29s,30s)-30-{[(2r,4r,5s,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1r,18s,21e,28r,29s,30s)-30-{[(2r,4r,5s,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1s,18s,21e,28s,29r,30r)-30-{[(2s,4r,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-[(1s,18s,21e,28s,29r,30r)-30-{[(2s,4r,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-[(1r)-1-hydroxyethyl]-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl]-1,3-thiazole-4-carboximidic acid

2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl)-1,3-thiazole-4-carboximidic acid

2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46-pentahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl)-1,3-thiazole-4-carboximidic acid

2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl)-1,3-thiazole-4-carboximidic acid

2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9,16,19,26,46,52-hexahydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-31,42-dioxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2²⁹,⁴⁰.1²,⁵.1¹²,¹⁵.1²²,²⁵.1³⁸,⁴¹.1⁴⁷,⁵⁰.0⁶,¹¹.0³⁴,³⁹]heptapentaconta-2(57),4,6,8,10,12(56),14,16,19,22(55),24,26,34(39),35,37,40,45,47,50-nonadecaen-8-yl)-1,3-thiazole-4-carboximidic acid