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S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione

MNXM81225 is deprecated and here replaced by MNXM1104833
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1104833Image of MNXM1104833
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
formulaC30H49N3O10S
charge-2
mass643.31496
referencebiggM:CE6244
InChIKeyBVYNXGKKWADCHD-RXULBTIMSA-L
InChIInChI=1S/C30H51N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-24,28,34-35H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-/t19-,20-,21+,22+,23?,24?,28+/m0/s1
SMILESCCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@H]1C(O)CC[C@@H]1C/C=C\CCCC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6244
biggM:CE6244 		S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione
hmdb:HMDB0013055 S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoic acid
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoic acid
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoate
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoate
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoic acid
9-(S-Glutathionyl)-9-deoxy-delta('12)-prostaglandin D(,2)
S-(11-Hydroxy-9-deoxy-delta12-PGD2)-glutathione
hmdb:HMDB13055
biggM:M_CE6244 		secondary/obsolete/fantasy identifier