CHEBI:212452 - Pyloricidin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Pyloricidin C
ChEBI ID CHEBI:212452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H33N3O8
Net Charge 0
Average Mass 455.508
Monoisotopic Mass 455.22677
InChI InChI=1S/C21H33N3O8/c1-11(2)8-13(22)20(31)24-15(10-25)17(28)18(29)19(30)21(32)23-14(9-16(26)27)12-6-4-3-5-7-12/h3-7,11,13-15,17-19,25,28-30H,8-10,22H2,1-2H3,(H,23,32)(H,24,31)(H,26,27)/t13-,14+,15+,17-,18-,19+/m0/s1
InChIKey PSSAPTMCCOBBEJ-ZXPQYSFNSA-N
SMILES O=C(N[C@@H](C1=CC=CC=C1)CC(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(C)C)CO
Metabolite of Species Details
Bacillusspecies (in: firmicutes) (NCBI:txid1409) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pyloricidin C (CHEBI:212452) is a benzenes (CHEBI:22712)
Pyloricidin C (CHEBI:212452) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Manual Xref Database
78438546 ChemSpider
View more database links