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CHEBI:216525 - Ralstonin A

ChEBI IDCHEBI:216525
ChEBI NameRalstonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H98N12O19
Net Charge0
Average Mass1291.509
Monoisotopic Mass1290.70712
SMILESC=C1NC(=O)[C@H](C(C)C)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/C60H98N12O19/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(61)51(81)60(90)71-48(37(6)75)58(88)72-49(50(80)38-21-23-39(76)24-22-38)59(89)69-43(33-74)56(86)68-41(26-29-73)54(84)64-32-45(78)67-42-27-30-91-46(79)25-28-62-52(82)35(4)65-44(77)31-63-53(83)36(5)66-57(87)47(34(2)3)70-55(42)85/h21-24,34-35,37,40-43,47-51,73-76,80-81H,5,7-20,25-33,61H2,1-4,6H3,(H,62,82)(H,63,83)(H,64,84)(H,65,77)(H,66,87)(H,67,78)(H,68,86)(H,69,89)(H,70,85)(H,71,90)(H,72,88)/t35?,37-,40+,41+,42-,43+,47+,48+,49+,50+,51+/m1/s1
InChIKeyFPTGUQRTQZPCCQ-JFECJPGOSA-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 A (CHEBI:216525) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-3-amino-2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[[(1S,2S)-1-hydroxy-3-[[(2S)-3-hydroxy-1-[[(2S)-4-hydroxy-1-[[2-[[(16S,19R)-7-methyl-13-methylidene-2,6,9,12,15,18-hexaoxo-16-propan-2-yl-1-oxa-5,8,11,14,17-pentazacyclohenicos-19-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxobutan-2-yl]octadecanamide
Manual XrefsDatabases
78439323ChemSpider