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CHEBI:216531 - Ralstonin B

ChEBI IDCHEBI:216531
ChEBI NameRalstonin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H100N12O19
Net Charge0
Average Mass1305.536
Monoisotopic Mass1304.72277
SMILESC=C1NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCCCCCCCC)[C@@H](C)O)[C@@H](O)c2ccc(O)cc2)CCOC(=O)CCNC(=O)C(C)NC(=O)CNC1=O
InChIInChI=1S/C61H100N12O19/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-41(62)52(82)61(91)72-49(38(6)76)59(89)73-50(51(81)39-22-24-40(77)25-23-39)60(90)70-44(34-75)57(87)69-42(27-30-74)55(85)65-33-46(79)68-43-28-31-92-47(80)26-29-63-53(83)36(4)66-45(78)32-64-54(84)37(5)67-58(88)48(35(3)8-2)71-56(43)86/h22-25,35-36,38,41-44,48-52,74-77,81-82H,5,7-21,26-34,62H2,1-4,6H3,(H,63,83)(H,64,84)(H,65,85)(H,66,78)(H,67,88)(H,68,79)(H,69,87)(H,70,90)(H,71,86)(H,72,91)(H,73,89)/t35-,36?,38-,41+,42+,43-,44+,48+,49+,50+,51+,52+/m1/s1
InChIKeySWIIRJJZYDKLGY-SOMAXPFTSA-N
Species of MetaboliteComponentSourceComments
Ralstonia solanacearum (ncbitaxon:305) - PubMed (28753290)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ralstonin B (CHEBI:216531) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-3-amino-N-[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(16S,19R)-16-[(2R)-butan-2-yl]-7-methyl-13-methylidene-2,6,9,12,15,18-hexaoxo-1-oxa-5,8,11,14,17-pentazacyclohenicos-19-yl]amino]-2-oxoethyl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-hydroxyoctadecanamide
Manual XrefsDatabases
78439324ChemSpider