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CHEBI:202380 - Pseudomycin B

ChEBI IDCHEBI:202380
ChEBI NamePseudomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H87ClN12O19
Net Charge0
Average Mass1207.775
Monoisotopic Mass1206.58990
SMILESC/C=C1/NC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCN)NC(=O)C(NC(=O)CC(O)CCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C51H87ClN12O19/c1-4-6-7-8-9-10-11-12-13-16-28(66)23-36(68)56-34-26-83-51(82)39(35(67)25-52)63-49(79)40(41(71)50(80)81)64-42(72)29(5-2)57-48(78)38(27(3)65)62-45(75)32(19-22-55)59-43(73)30(17-14-15-20-53)58-46(76)33(24-37(69)70)61-44(74)31(18-21-54)60-47(34)77/h5,27-28,30-35,38-41,65-67,71H,4,6-26,53-55H2,1-3H3,(H,56,68)(H,57,78)(H,58,76)(H,59,73)(H,60,77)(H,61,74)(H,62,75)(H,63,79)(H,64,72)(H,69,70)(H,80,81)/b29-5+
InChIKeyNYRWZRIVFVWNTD-IMUCOVGGSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - PubMed (7957970)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudomycin B (CHEBI:202380) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(9E)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
Manual XrefsDatabases
78444487ChemSpider