(Q105297688)

English

[(8E,10E,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate

group of stereoisomers with the chemical formula C₃₆H₅₀N₂O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

638.35671656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀N₂O₈

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canonical SMILES

COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1

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isomeric SMILES

COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces rishiriensis

1 reference

stated in

Studies on mycotrienin antibiotics, a novel class of ansamycins. II. Structure elucidation and biosynthesis of mycotrienins I and II

Identifiers

InChI

InChI=1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11?,23-14-

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InChIKey

VVJDHJZQBGWPEQ-BKOAXCBTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VVJDHJZQBGWPEQ-BKOAXCBTSA-N

ChEBI ID

227530

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11?,23-14-

1 reference

Natural Product Atlas ID

NPA017554

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VVJDHJZQBGWPEQ-BKOAXCBTSA-N

(Q105297688)

[(8E,10E,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate

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Identifiers

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