Cystomanamide A (CHEBI:204157)

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CHEBI:204157 - Cystomanamide A

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ChEBI ID	CHEBI:204157
ChEBI Name	Cystomanamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H44N6O9
Net Charge	0
Average Mass	608.693
Monoisotopic Mass	608.31698
SMILES	CC(C)CCCCC[C@@H](N)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1)[C@@H](O)C(N)=O
InChI	InChI=1S/C28H44N6O9/c1-15(2)9-5-3-8-12-17(29)13-20(36)32-18(14-19(30)35)26(40)33-21(24(38)25(31)39)27(41)34-22(28(42)43)23(37)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,21-24,37-38H,3,5,8-9,12-14,29H2,1-2H3,(H2,30,35)(H2,31,39)(H,32,36)(H,33,40)(H,34,41)(H,42,43)/t17-,18-,21+,22-,23+,24-/m1/s1
InChIKey	JENXRARIASYFRK-LXTLSNALSA-N

Species of Metabolite	Component	Source	Comments
Cystobacter (ncbitaxon:42)	-	PubMed (24735013)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cystomanamide A (CHEBI:204157) is a peptide (CHEBI:16670)

IUPAC Name
(2R,3S)-2-[[(2S,3R)-4-amino-2-[[(2R)-4-amino-2-[[(3R)-3-amino-9-methyldecanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoic acid

Manual Xrefs	Databases
58825836	ChemSpider