CHEBI:219677 - 13-epi-dorrigocin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 13-epi-dorrigocin A
ChEBI ID CHEBI:219677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H41NO8
Net Charge 0
Average Mass 507.624
Monoisotopic Mass 507.28322
InChI InChI=1S/C27H41NO8/c1-17(14-18(2)27(35)22(36-4)12-7-5-6-8-13-25(32)33)26(34)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,18-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,17-14+/t18-,19-,22+,26-,27+/m1/s1
InChIKey HJCZOTBHYAPUHT-FFMZNCFZSA-N
SMILES O=C1NC(=O)CC(C1)CCCC(=O)[C@H]([C@H](O)/C(=C/[C@H]([C@H](O)[C@@H](OC)/C=C/CC/C=C/C(=O)O)C)/C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 13-epi-dorrigocin A (CHEBI:219677) is a lipid (CHEBI:18059)
IUPAC Name
(2E,6E,8S,9S,10R,11E,13S,14S)-18-(2,6-dioxopiperidin-4-yl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11-trienoic acid
Manual Xref Database
23332983 ChemSpider
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