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CHEBI:184833 - (2S,3S,4S,5R)-6-(2-{[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]amino}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184833
ChEBI Name(2S,3S,4S,5R)-6-(2-{[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]amino}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30Cl2N4O7
Net Charge0
Average Mass665.530
Monoisotopic Mass664.14915
SMILESCC(COC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C33H30Cl2N4O7/c1-17(16-45-33-30(42)28(40)29(41)31(46-33)32(43)44)36-24-15-27-25(14-23(24)37-20-10-6-18(34)7-11-20)38-22-4-2-3-5-26(22)39(27)21-12-8-19(35)9-13-21/h2-15,17,28-31,33,37,40-42H,16H2,1H3,(H,43,44)/b36-24+/t17?,28-,29-,30+,31-,33?/m0/s1
InChIKeyYJJBZADWPTXVOZ-DDXRKAPGSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R)-6-(2-{[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]amino}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184833) is a phenazines (CHEBI:39201)
IUPAC Name 
(2S,3S,4S,5R)-6-[2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid