2-Hydroxycyslabdan A (CHEBI:211788)

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CHEBI:211788 - 2-Hydroxycyslabdan A

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ChEBI ID	CHEBI:211788
ChEBI Name	2-Hydroxycyslabdan A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H41NO6S
Net Charge	0
Average Mass	483.671
Monoisotopic Mass	483.26546
SMILES	C=C/C(C)=C/C[C@@H]1[C@@]2(C)C[C@@H](O)CC(C)(C)[C@@H]2C[C@H](O)[C@@]1(O)CSC[C@H](NC(C)=O)C(=O)O
InChI	InChI=1S/C25H41NO6S/c1-7-15(2)8-9-19-24(6)12-17(28)11-23(4,5)20(24)10-21(29)25(19,32)14-33-13-18(22(30)31)26-16(3)27/h7-8,17-21,28-29,32H,1,9-14H2,2-6H3,(H,26,27)(H,30,31)/b15-8+/t17-,18-,19+,20-,21-,24+,25+/m0/s1
InChIKey	PTRRHQHGAOYEKT-KYXZTKSHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (26507838)

ChEBI Ontology

Outgoing Relation(s)
	2-Hydroxycyslabdan A (CHEBI:211788) is a diterpenoid (CHEBI:23849)

IUPAC Name
(2R)-3-[[(1R,2R,3S,4aS,7S,8aS)-2,3,7-trihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]methylsulanyl]-2-acetamidopropanoic acid