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UDP-N-acetylgalactosamine-5,6-ene(2-)

MNXM161999 is deprecated and replaced by MNXM1100626
PropertiesImage
MNX_IDMNXM1100626 Image of MNXM1100626
referencechebi:85718
formulaC17H23N3O16P2
global charge-2
mol weight587.324
InChIKeyBNDFCARCBRBJRX-KFVCKIFFSA-L
InChIInChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,8,10-16,23-26H,1,5H2,2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/p-2/t8-,10-,11+,12-,13-,14-,15-,16-/m1/s1
SMILESC=C1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,8,10-16,23-26H,1,5H2,2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 Image of MNXM1100626
SMILES (mnx)[CH2:1]=[C:6]1[C@H:11]([OH:23])[C@H:13]([OH:25])[C@@H:10]([N:18]=[C:7]([CH3:2])[OH:21])[C@@H:16]([O:35][P:38]([OH:30])(=[O:31])[O:36][P:37]([OH:28])(=[O:29])[O:32][CH2:5][C@@H:8]2[C@@H:12]([OH:24])[C@@H:14]([OH:26])[C@H:15]([N:20]3[CH:4]=[CH:3][C:9]([OH:22])=[N:19][C:17]3=[O:27])[O:34]2)[O:33]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85718
chebi:85718
BNDFCARCBRBJRX-KFVCKIFFSA-L 		UDP-N-acetylgalactosamine-5,6-ene(2-)
UDP-N-acetyl-5,6-dehydro-alpha-galactosamine(2-)
UDP-N-acetyl-5,6-dehydrogalactosamine(2-)
UDP-N-acetyl-alpha-galactosamine-5,6-ene(2-)

seed.compound:cpd33350
seedM:cpd33350
BNDFCARCBRBJRX-KFVCKIFFSA-L 		UDP-6-deoxy-5,6-ene-GalNAc
UDP-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-methylideneoxan-3-yl]acetamide

metacyc.compound:CPD-19361
metacycM:CPD-19361
BNDFCARCBRBJRX-KFVCKIFFSA-L 		UDP-N-acetylgalactosamine-5,6-ene
UDP-6-deoxy-5,6-ene-GalNAc
UDP-N-[(2S,3R,4R,5R)-2,4,5-trihydroxy-6-methylideneoxan-3-yl]acetamide

CHEBI:85964
chebi:85964
BNDFCARCBRBJRX-KFVCKIFFSA-N 		UDP-N-acetylgalactosamine-5,6-ene
UDP-N-acetyl-5,6-dehydro-alpha-galactosamine
UDP-N-acetyl-5,6-dehydrogalactosamine
UDP-N-acetyl-alpha-galactosamine-5,6-ene
uridine 5'-[3-(2-acetamido-2,6-dideoxy-beta-L-arabino-hex-5-enopyranosyl) dihydrogen diphosphate]

seedM:M_cpd33350 		secondary/obsolete/fantasy identifier