Odobromoamide (CHEBI:207506)

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CHEBI:207506 - Odobromoamide

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ChEBI ID	CHEBI:207506
ChEBI Name	Odobromoamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H59BrN4O8
Net Charge	0
Average Mass	767.803
Monoisotopic Mass	766.35163
SMILES	CC[C@H](C)[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](CCCC#CBr)[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C37H59BrN4O8/c1-12-24(8)30-37(48)50-31(23(6)7)35(46)42-20-16-17-26(42)33(44)40(10)29(22(4)5)36(47)49-27(18-14-13-15-19-38)25(9)32(43)39-28(21(2)3)34(45)41(30)11/h21-31H,12-14,16-18,20H2,1-11H3,(H,39,43)/t24-,25-,26-,27+,28-,29-,30-,31-/m0/s1
InChIKey	YNTOPNDYIXSONG-AVCHBABLSA-N

Species of Metabolite	Component	Source	Comments
Okeania (ncbitaxon:1458928)	-	DOI (10.1246/bcsj.20160417)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Odobromoamide (CHEBI:207506) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9S,12S,13R,16S,19S)-13-(5-bromopent-4-ynyl)-6-[(2S)-butan-2-yl]-7,12,17-trimethyl-3,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone

Manual Xrefs	Databases
61708559	ChemSpider