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CHEBI:216144 - Haereoplantin C

ChEBI IDCHEBI:216144
ChEBI NameHaereoplantin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N6O10
Net Charge0
Average Mass792.931
Monoisotopic Mass792.40579
SMILESC/C=C(/NC(=O)CCCCCCC)C(=O)N/C(=C/C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)c1ccc(O)cc1
InChIInChI=1S/C41H56N6O10/c1-7-10-11-12-13-14-33(50)43-30(8-2)37(52)44-31(9-3)38(53)45-32(23-24(4)5)39(54)47-35(26-17-21-29(49)22-18-26)40(55)42-28-19-15-27(16-20-28)36(51)46-34(25(6)48)41(56)57/h8-9,15-22,24-25,32,34-35,48-49H,7,10-14,23H2,1-6H3,(H,42,55)(H,43,50)(H,44,52)(H,45,53)(H,46,51)(H,47,54)(H,56,57)/b30-8+,31-9+/t25-,32-,34+,35+/m1/s1
InChIKeyRWSZPDIZUVIDBM-SBWKKBDFSA-N
Species of MetaboliteComponentSourceComments
Burkholderia plantarii (ncbitaxon:41899) - PubMed (32808751)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Haereoplantin C (CHEBI:216144) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[[4-[[(2S)-2-(4-hydroxyphenyl)-2-[[(2R)-4-methyl-2-[[(E)-2-[[(E)-2-(octanoylamino)but-2-enoyl]amino]but-2-enoyl]amino]pentanoyl]amino]acetyl]amino]benzoyl]amino]butanoic acid