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CHEBI:223586 - Pseudoalteropeptide A

ChEBI IDCHEBI:223586
ChEBI NamePseudoalteropeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H74N8O12
Net Charge0
Average Mass895.109
Monoisotopic Mass894.54262
SMILESCCCCCC/C=C\CCCCCCCC(=O)NC(Cc1cncn1)C(O)CC(O)CC(=O)N[C@@H](C)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C43H74N8O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-39(56)47-37(25-33-28-44-29-45-33)38(55)26-34(54)27-40(57)46-30(2)41(58)48-35(20-18-23-50(62)31(3)52)42(59)49-36(43(60)61)21-19-24-51(63)32(4)53/h10-11,28-30,34-38,54-55,62-63H,5-9,12-27H2,1-4H3,(H,44,45)(H,46,57)(H,47,56)(H,48,58)(H,49,59)(H,60,61)/b11-10-/t30-,34?,35?,36?,37?,38?/m0/s1
InChIKeyFKVPJRWKAHNMCU-NPYZUDPGSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas (ncbitaxon:53246) - PubMed (33060815)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudoalteropeptide A (CHEBI:223586) is a polypeptide (CHEBI:15841)
IUPAC Name 
5-[acetyl(hydroxy)amino]-2-[[5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[6-[[(Z)-hexadec-9-enoyl]amino]-3,5-dihydroxy-7-(1H-imidazol-5-yl)heptanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid
Manual XrefsDatabases
103704642ChemSpider