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CHEBI:216866 - AIP I

ChEBI IDCHEBI:216866
ChEBI NameAIP I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N8O13S2
Net Charge0
Average Mass961.130
Monoisotopic Mass960.37213
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](C)O)CSC(=O)[C@H](CCSC)NC1=O
InChIInChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1
InChIKeyQPIROHVZMLYRNN-YRNJLPRFSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280) - PubMed (9197262)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
AIP I (CHEBI:216866) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(3S,6S,9S,12S,15R)-15-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-9-benzyl-6-[(2S)-butan-2-yl]-3-(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-12-yl]acetic acid
Manual XrefsDatabases
8482196ChemSpider