CHEBI:177837 - N-Acetyl-L-leucyl-L-isoleucylglycyl-L-valyl-N-methyl-L-prolinamide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-Acetyl-L-leucyl-L-isoleucylglycyl-L-valyl-N-methyl-L-prolinamide
ChEBI ID CHEBI:177837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48N6O6
Net Charge 0
Average Mass 552.717
Monoisotopic Mass 552.36353
InChI InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1
InChIKey DPUYCSDGMSDKKV-MKBYFEBXSA-N
SMILES O=C(N1[C@@H](CCC1)C(=O)NC)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)[C@H](CC)C)C(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-Acetyl-L-leucyl-L-isoleucylglycyl-L-valyl-N-methyl-L-prolinamide (CHEBI:177837) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
Manual Xrefs Databases
388360 ChemSpider
C00373 KEGG COMPOUND
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Registry Number Type Source
9007-58-3 CAS Registry Number ChemIDplus