Phepropeptin A (CHEBI:198387)

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CHEBI:198387 - Phepropeptin A

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ChEBI ID	CHEBI:198387
ChEBI Name	Phepropeptin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H58N6O6
Net Charge	0
Average Mass	682.907
Monoisotopic Mass	682.44178
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
InChI	InChI=1S/C37H58N6O6/c1-21(2)17-26-32(44)38-28(19-23(5)6)34(46)42-31(24(7)8)36(48)40-27(18-22(3)4)33(45)41-29(20-25-13-10-9-11-14-25)37(49)43-16-12-15-30(43)35(47)39-26/h9-11,13-14,21-24,26-31H,12,15-20H2,1-8H3,(H,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t26-,27-,28+,29+,30-,31-/m0/s1
InChIKey	QVOWLQGIVUTHGK-ZAFXZDQFSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (11827028)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Phepropeptin A (CHEBI:198387) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3R,6S,9S,12R,15S,18S)-3-benzyl-6,12,15-tris(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
9214884	ChemSpider