CHEBI:211794 - 17-Hydroxycyslabdan 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 17-Hydroxycyslabdan A
ChEBI ID CHEBI:211794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H41NO6S
Net Charge 0
Average Mass 483.660
Monoisotopic Mass 483.26546
InChI InChI=1S/C25H41NO6S/c1-7-15(2)9-10-18-24(6)12-8-11-23(4,5)19(24)13-20(28)25(18,32)22(31)33-14-17(21(29)30)26-16(3)27/h7,9,17-20,22,28,31-32H,1,8,10-14H2,2-6H3,(H,26,27)(H,29,30)/b15-9+/t17-,18+,19-,20-,22-,24+,25+/m0/s1
InChIKey MTFOIHQNFFXXRF-XXBLPORFSA-N
SMILES S([C@H](O)[C@]1(O)[C@@H](O)C[C@H]2C(CCC[C@@]2([C@H]1C/C=C(/C=C)\C)C)(C)C)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 17-Hydroxycyslabdan A (CHEBI:211794) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2R)-3-[(S)-[(1R,2R,3S,4aS,8aS)-2,3-dihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]-hydroxymethyl]sulanyl-2-acetamidopropanoic acid