Atolypene B (CHEBI:211980)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211980 - Atolypene B

Take structure to advanced search

ChEBI ID	CHEBI:211980
ChEBI Name	Atolypene B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H43NO3
Net Charge	0
Average Mass	429.645
Monoisotopic Mass	429.32429
SMILES	C/C(=C\CC(N)C(=O)O)CC[C@]1(C)[C@H]2CC=C3[C@@H](CCC(=O)C3(C)C)[C@]2(C)CC[C@@H]1C
InChI	InChI=1S/C27H43NO3/c1-17(7-10-21(28)24(30)31)13-15-26(5)18(2)14-16-27(6)20-9-12-23(29)25(3,4)19(20)8-11-22(26)27/h7-8,18,20-22H,9-16,28H2,1-6H3,(H,30,31)/b17-7+/t18-,20+,21?,22+,26-,27-/m0/s1
InChIKey	VMAPDJDPIBPXSC-NHIMSEOXSA-N

Species of Metabolite	Component	Source	Comments
Amycolatopsis (ncbitaxon:1813)	-	PubMed (30575381)

ChEBI Ontology

Outgoing Relation(s)
	Atolypene B (CHEBI:211980) is a oxo steroid (CHEBI:35789)

IUPAC Name
(E)-7-[(1S,2S,4aR,4bS,10aR)-1,2,4a,8,8-pentamethyl-7-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]-2-amino-5-methylhept-4-enoic acid