Nocardiamide B (CHEBI:223006)

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CHEBI:223006 - Nocardiamide B

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ChEBI ID	CHEBI:223006
ChEBI Name	Nocardiamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H56N6O7
Net Charge	0
Average Mass	672.868
Monoisotopic Mass	672.42105
SMILES	CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O
InChI	InChI=1S/C35H56N6O7/c1-17(2)15-24-30(43)38-26(18(3)4)32(45)37-25(16-22-11-13-23(42)14-12-22)31(44)39-28(20(7)8)34(47)41-29(21(9)10)35(48)40-27(19(5)6)33(46)36-24/h11-14,17-21,24-29,42H,15-16H2,1-10H3,(H,36,46)(H,37,45)(H,38,43)(H,39,44)(H,40,48)(H,41,47)/t24-,25+,26+,27-,28-,29+/m1/s1
InChIKey	LGEXLQQDCZMCOX-VRZSYJHESA-N

Species of Metabolite	Component	Source	Comments
Nocardiopsisspecies CNX037 (ncbitaxon:1329900)	-	PubMed (23586970)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Nocardiamide B (CHEBI:223006) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9R,12R,15S,18R)-3-[(4-hydroxyphenyl)methyl]-9-(2-methylpropyl)-6,12,15,18-tetra(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
29418440	ChemSpider