(Q110171227)

English

(3S,4S,6S,8R,10S,11R,12Z,14E,17S)-12-cyano-3,11,17-trihydroxy-17-[(1R,2R)-2-methoxycarbonylcyclopentyl]-4,6,8,10-tetramethylheptadeca-12,14-dienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

521.335252844 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₇NO₇

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canonical SMILES

N#CC(=CC=CCC(O)C1CCCC1C(=O)OC)C(O)C(C)CC(C)CC(C)CC(C)C(O)CC(=O)O

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isomeric SMILES

COC(=O)[C@@H]1CCC[C@H]1[C@@H](O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O

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found in taxon

Streptomyces rochei

1 reference

stated in

New Metabolites From the Co-culture of Marine-Derived Actinomycete MB037 and Fungus 35

Identifiers

InChI

InChI=1S/C29H47NO7/c1-18(14-20(3)26(32)16-27(33)34)13-19(2)15-21(4)28(35)22(17-30)9-6-7-12-25(31)23-10-8-11-24(23)29(36)37-5/h6-7,9,18-21,23-26,28,31-32,35H,8,10-16H2,1-5H3,(H,33,34)/b7-6+,22-9-/t18-,19+,20-,21-,23+,24+,25-,26-,28+/m0/s1

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InChIKey

OQVUUSDKICWAQX-FNAXLFQASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OQVUUSDKICWAQX-FNAXLFQASA-N

ChEBI ID

211431

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H47NO7/c1-18(14-20(3)26(32)16-27(33)34)13-19(2)15-21(4)28(35)22(17-30)9-6-7-12-25(31)23-10-8-11-24(23)29(36)37-5/h6-7,9,18-21,23-26,28,31-32,35H,8,10-16H2,1-5H3,(H,33,34)/b7-6+,22-9-/t18-,19+,20-,21-,23+,24+,25-,26-,28+/m0/s1

Natural Product Atlas ID

NPA031193

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OQVUUSDKICWAQX-FNAXLFQASA-N

(Q110171227)

(3S,4S,6S,8R,10S,11R,12Z,14E,17S)-12-cyano-3,11,17-trihydroxy-17-[(1R,2R)-2-methoxycarbonylcyclopentyl]-4,6,8,10-tetramethylheptadeca-12,14-dienoic acid

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Identifiers

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