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CHEBI:216151 - Haereoplantin D

ChEBI IDCHEBI:216151
ChEBI NameHaereoplantin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60N6O10
Net Charge0
Average Mass772.941
Monoisotopic Mass772.43709
SMILESC/C=C(/NC(=O)CCCCCCC)C(=O)N/C(=C/C)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)[C@@H](O)C(C)C
InChIInChI=1S/C39H60N6O10/c1-9-12-13-14-15-16-30(47)41-27(10-2)35(50)42-28(11-3)36(51)45-32(33(48)23(6)7)38(53)43-29(21-22(4)5)37(52)40-26-19-17-25(18-20-26)34(49)44-31(24(8)46)39(54)55/h10-11,17-20,22-24,29,31-33,46,48H,9,12-16,21H2,1-8H3,(H,40,52)(H,41,47)(H,42,50)(H,43,53)(H,44,49)(H,45,51)(H,54,55)/b27-10+,28-11+/t24-,29+,31+,32-,33+/m1/s1
InChIKeyGDYVTAOKQLSCGU-INBVFTKDSA-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 D (CHEBI:216151) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[[4-[[(2S)-2-[[(2R,3S)-3-hydroxy-4-methyl-2-[[(E)-2-[[(E)-2-(octanoylamino)but-2-enoyl]amino]but-2-enoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]benzoyl]amino]butanoic acid