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CHEBI:216132 - Haereoplantin A

ChEBI IDCHEBI:216132
ChEBI NameHaereoplantin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N6O11
Net Charge0
Average Mass808.930
Monoisotopic Mass808.40071
SMILESC/C=C(/NC(=O)CCCCCCC)C(=O)N/C(=C/C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)c1ccc(O)cc1)[C@@H](O)C(C)C
InChIInChI=1S/C41H56N6O11/c1-7-10-11-12-13-14-31(50)43-29(8-2)37(53)44-30(9-3)38(54)47-34(35(51)23(4)5)40(56)46-33(25-17-21-28(49)22-18-25)39(55)42-27-19-15-26(16-20-27)36(52)45-32(24(6)48)41(57)58/h8-9,15-24,32-35,48-49,51H,7,10-14H2,1-6H3,(H,42,55)(H,43,50)(H,44,53)(H,45,52)(H,46,56)(H,47,54)(H,57,58)/b29-8+,30-9+/t24-,32+,33+,34-,35+/m1/s1
InChIKeyHICGKJFIMOWMEM-AUKZETPZSA-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 A (CHEBI:216132) is a polypeptide (CHEBI:15841)
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]-2-(4-hydroxyphenyl)acetyl]amino]benzoyl]amino]butanoic acid