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CHEBI:216189 - Ralstoamide A

ChEBI IDCHEBI:216189
ChEBI NameRalstoamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H69N7O12
Net Charge0
Average Mass864.051
Monoisotopic Mass863.50042
SMILESC=C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCCCCCCCC)[C@@H](C)O)[C@@H](O)c1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)NCCC(=O)O
InChIInChI=1S/C42H69N7O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(43)37(56)42(61)48-34(28(4)50)40(59)49-35(36(55)29-19-21-30(51)22-20-29)41(60)47-27(3)39(58)45-25-32(52)46-26(2)38(57)44-24-23-33(53)54/h19-22,26,28,31,34-37,50-51,55-56H,3,5-18,23-25,43H2,1-2,4H3,(H,44,57)(H,45,58)(H,46,52)(H,47,60)(H,48,61)(H,49,59)(H,53,54)/t26-,28+,31-,34-,35-,36-,37-/m0/s1
InChIKeySWJJHQKZQQFFSW-SKZCZBOXSA-N
Species of MetaboliteComponentSourceComments
Ralstonia solanacearum (ncbitaxon:305) - PubMed (33112588)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ralstoamide A (CHEBI:216189) is a peptide (CHEBI:16670)
IUPAC Name 
3-[[(2S)-2-[[2-[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-3-amino-2-hydroxyoctadecanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]prop-2-enoylamino]acetyl]amino]propanoyl]amino]propanoic acid