Carmabin B (CHEBI:206137)

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CHEBI:206137 - Carmabin B

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ChEBI ID	CHEBI:206137
ChEBI Name	Carmabin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H59N5O7
Net Charge	0
Average Mass	721.940
Monoisotopic Mass	721.44145
SMILES	COc1ccc(CC(C(N)=O)N(C)C(=O)C(C)N(C)C(=O)C(C)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C)CC(C)CCCCC(C)=O)cc1
InChI	InChI=1S/C40H59N5O7/c1-26(15-13-14-16-28(3)46)23-27(2)38(49)45(8)35(25-31-17-11-10-12-18-31)37(48)42-29(4)39(50)43(6)30(5)40(51)44(7)34(36(41)47)24-32-19-21-33(52-9)22-20-32/h10-12,17-22,26-27,29-30,34-35H,13-16,23-25H2,1-9H3,(H2,41,47)(H,42,48)
InChIKey	FZTCTTODSSJQQB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (9584405)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Carmabin B (CHEBI:206137) is a peptide (CHEBI:16670)

IUPAC Name
N-[1-[[1-[[1-[[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,2,4-trimethyl-9-oxodecanamide

Manual Xrefs	Databases
8946480	ChemSpider