Atolypene A (CHEBI:211982)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211982 - Atolypene A

Take structure to advanced search

ChEBI ID	CHEBI:211982
ChEBI Name	Atolypene A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H45NO3
Net Charge	0
Average Mass	443.672
Monoisotopic Mass	443.33994
SMILES	C/C(=C\CC[C@H](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/C28H45NO3/c1-18(8-7-9-22(29)25(31)32)14-16-27(5)19(2)15-17-28(6)21-11-13-24(30)26(3,4)20(21)10-12-23(27)28/h8,10,19,21-23H,7,9,11-17,29H2,1-6H3,(H,31,32)/b18-8+/t19-,21+,22-,23+,27-,28-/m0/s1
InChIKey	IQSLRUKIZOBDLU-GVYOKUMQSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Atolypene A (CHEBI:211982) is a oxo steroid (CHEBI:35789)

IUPAC Name
(E,2S)-8-[(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-6-methyloct-5-enoic acid