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CHEBI:216196 - Ralstoamide B

ChEBI IDCHEBI:216196
ChEBI NameRalstoamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N7O11
Net Charge0
Average Mass846.036
Monoisotopic Mass845.48986
SMILESC=C1NC(=O)[C@H]([C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCCCCCCCC)[C@@H](C)OC(=O)CCNC(=O)[C@H](C)NC(=O)CNC1=O
InChIInChI=1S/C42H67N7O11/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(43)37(54)42(59)48-34-28(4)60-33(52)23-24-44-38(55)26(2)46-32(51)25-45-39(56)27(3)47-41(58)35(49-40(34)57)36(53)29-19-21-30(50)22-20-29/h19-22,26,28,31,34-37,50,53-54H,3,5-18,23-25,43H2,1-2,4H3,(H,44,55)(H,45,56)(H,46,51)(H,47,58)(H,48,59)(H,49,57)/t26-,28+,31-,34-,35-,36-,37-/m0/s1
InChIKeySGFGVMAKFYEBQJ-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 B (CHEBI:216196) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-3-amino-2-hydroxy-N-[(2R,3S,6S,15S)-6-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-2,15-dimethyl-9-methylidene-4,7,10,13,16,20-hexaoxo-1-oxa-5,8,11,14,17-pentazacycloicos-3-yl]octadecanamide