JG002CPA (CHEBI:208756)

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CHEBI:208756 - JG002CPA

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ChEBI ID	CHEBI:208756
ChEBI Name	JG002CPA
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H43N5O6
Net Charge	0
Average Mass	605.736
Monoisotopic Mass	605.32133
SMILES	CC(C)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/C33H43N5O6/c1-20(2)17-25-29(40)34-21(3)32(43)37(4)28(19-22-9-6-5-7-10-22)31(42)36-26(18-23-12-14-24(39)15-13-23)33(44)38-16-8-11-27(38)30(41)35-25/h5-7,9-10,12-15,20-21,25-28,39H,8,11,16-19H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/t21-,25-,26-,27-,28-/m0/s1
InChIKey	GIVLJWPIFFDBBC-OZDPOCAXSA-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)
	JG002CPA (CHEBI:208756) is a oligopeptide (CHEBI:25676)

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

Manual Xrefs	Databases
80564758	ChemSpider