Aspergillipeptide B (CHEBI:211575)

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CHEBI:211575 - Aspergillipeptide B

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ChEBI ID	CHEBI:211575
ChEBI Name	Aspergillipeptide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H36N4O7
Net Charge	0
Average Mass	516.595
Monoisotopic Mass	516.25840
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)/C=C\c2ccc(O)cc2)[C@@H](C)OC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC1=O
InChI	InChI=1S/C26H36N4O7/c1-14(2)12-20-24(34)28-16(4)23(33)27-13-15(3)26(36)37-17(5)22(25(35)29-20)30-21(32)11-8-18-6-9-19(31)10-7-18/h6-11,14-17,20,22,31H,12-13H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,30,32)/b11-8-/t15-,16+,17+,20-,22-/m0/s1
InChIKey	GXKRFCOMAWYRAO-JNUWJWPNSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies SCSGAF 0076 (ncbitaxon:1500550)	-	DOI (10.1016/j.tet.2013.01.021)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Aspergillipeptide B (CHEBI:211575) is a peptide (CHEBI:16670)

IUPAC Name
(Z)-3-(4-hydroxyphenyl)-N-[(2R,3S,6S,9R,13S)-2,9,13-trimethyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]prop-2-enamide

Manual Xrefs	Databases
29215475	ChemSpider