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pyochelin I

MNXM12813 is deprecated and here replaced by MNXM727817
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727817 Image of MNXM727817
referencechebi:67183
formulaC14H16N2O3S2
global charge0
mol weight324.427
InChIKeyNYBZAGXTZXPYND-GBIKHYSHSA-N
InChIInChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1
SMILESCN1[C@@H]([C@H]2CSC(C3=CC=CC=C3O)=N2)SC[C@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1 Image of MNXM727817
SMILES (mnx)[CH3:1][N:16]1[C@H:10]([C:14](=[O:18])[OH:19])[CH2:7][S:21][C@@H:13]1[C@H:9]1[CH2:6][S:20][C:12]([C:8]2=[CH:4][CH:2]=[CH:3][CH:5]=[C:11]2[OH:17])=[N:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67183
chebi:67183
NYBZAGXTZXPYND-GBIKHYSHSA-N 		pyochelin I
(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
(4'R,2''R,4''R)-2'-(2-hydroxyphenyl)-3''-methyl-2'',3'',4'',4',5'-hexahydro-[2,4']-bisthiazolyl-4''-carboxylic acid

seed.compound:cpd08828
seedM:cpd08828
NYBZAGXTZXPYND-GBIKHYSHSA-M 		Pyochelin
pyochelin

metacyc.compound:CPD-9992
metacycM:CPD-9992
NYBZAGXTZXPYND-GBIKHYSHSA-M 		pyochelin

seedM:M_cpd08828 		secondary/obsolete/fantasy identifier