JG002CPB (CHEBI:208762)

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CHEBI:208762 - JG002CPB

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ChEBI ID	CHEBI:208762
ChEBI Name	JG002CPB
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H41N5O6
Net Charge	0
Average Mass	591.709
Monoisotopic Mass	591.30568
SMILES	CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC1=O
InChI	InChI=1S/C32H41N5O6/c1-19(2)27-30(41)33-20(3)31(42)36(4)26(18-21-9-6-5-7-10-21)29(40)34-24(17-22-12-14-23(38)15-13-22)32(43)37-16-8-11-25(37)28(39)35-27/h5-7,9-10,12-15,19-20,24-27,38H,8,11,16-18H2,1-4H3,(H,33,41)(H,34,40)(H,35,39)/t20-,24-,25-,26-,27-/m0/s1
InChIKey	UEGYUOKYESNXMM-KKASSDGMSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus allahabadii (ncbitaxon:1612426)	-	PubMed (31438635)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	JG002CPB (CHEBI:208762) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12S,15S)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-7,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
80564759	ChemSpider