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CHEBI:214736 - Pseudomycin A

ChEBI IDCHEBI:214736
ChEBI NamePseudomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H87ClN12O20
Net Charge0
Average Mass1223.774
Monoisotopic Mass1222.58481
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)C(O)CCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C51H87ClN12O20/c1-4-6-7-8-9-10-11-12-16-33(66)34(67)23-36(69)56-32-25-84-51(83)39(35(68)24-52)63-49(80)40(41(72)50(81)82)64-42(73)27(5-2)57-48(79)38(26(3)65)62-45(76)30(18-21-55)59-43(74)28(15-13-14-19-53)58-46(77)31(22-37(70)71)61-44(75)29(17-20-54)60-47(32)78/h5,26,28-35,38-41,65-68,72H,4,6-25,53-55H2,1-3H3,(H,56,69)(H,57,79)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,80)(H,64,73)(H,70,71)(H,81,82)/b27-5+
InChIKeyXDPWWEOIDYYUDN-FZXKJZBHSA-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 A (CHEBI:214736) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(9E)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxytetradecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-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
78444500ChemSpider