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CHEBI:216156 - Haereoplantin E

ChEBI IDCHEBI:216156
ChEBI NameHaereoplantin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50N6O8
Net Charge0
Average Mass706.841
Monoisotopic Mass706.36901
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(N)=O)cc1)c1ccc(O)cc1)[C@@H](O)C(C)C
InChIInChI=1S/C37H50N6O8/c1-6-9-10-11-12-13-29(45)40-27(7-2)34(48)41-28(8-3)35(49)43-31(32(46)22(4)5)37(51)42-30(23-16-20-26(44)21-17-23)36(50)39-25-18-14-24(15-19-25)33(38)47/h7-8,14-22,30-32,44,46H,6,9-13H2,1-5H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,48)(H,42,51)(H,43,49)/b27-7+,28-8+/t30-,31+,32-/m0/s1
InChIKeyHRCZDTQVIWUXRB-ALFULQJTSA-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 E (CHEBI:216156) is a polypeptide (CHEBI:15841)
IUPAC Name 
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]benzamide