CHEBI:198393 - Pyloricidin A1

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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 Pyloricidin A1
ChEBI ID CHEBI:198393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H53N5O10
Net Charge 0
Average Mass 667.801
Monoisotopic Mass 667.37924
InChI InChI=1S/C32H53N5O10/c1-7-18(6)25(37-30(45)24(33)17(4)5)31(46)35-21(13-16(2)3)29(44)36-22(15-38)26(41)27(42)28(43)32(47)34-20(14-23(39)40)19-11-9-8-10-12-19/h8-12,16-18,20-22,24-28,38,41-43H,7,13-15,33H2,1-6H3,(H,34,47)(H,35,46)(H,36,44)(H,37,45)(H,39,40)/t18-,20+,21-,22+,24-,25-,26-,27-,28+/m0/s1
InChIKey GCTBIAPBXCZZKV-JKIMWYTHSA-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](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@H](CC)C)CC(C)C)CO
Metabolite of Species Details
Bacillusspecies (in: firmicutes) (NCBI:txid1409) See: PubMed
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 Pyloricidin A1 (CHEBI:198393) is a peptide (CHEBI:16670)
IUPAC Name
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Manual Xref Database
78436353 ChemSpider
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