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diacetylchitobiose-6'-phosphate

PropertiesImage
MNX_IDMNXM726813 Image of MNXM726813
referencechebi:64883
formulaC16H27N2O14P
global charge-2
mol weight502.366
InChIKeyKYKNQNQCPWDNAK-CBTAGEKQSA-L
InChIInChI=1S/C16H29N2O14P/c1-5(20)17-9-13(24)14(7(3-19)30-15(9)25)32-16-10(18-6(2)21)12(23)11(22)8(31-16)4-29-33(26,27)28/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H2,26,27,28)/p-2/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C16H29N2O14P/c1-5(20)17-9-13(24)14(7(3-19)30-15(9)25)32-16-10(18-6(2)21)12(23)11(22)8(31-16)4-29-33(26,27)28/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H2,26,27,28)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1 Image of MNXM726813
SMILES (mnx)[CH3:1][C:5](=[N:17][C@@H:9]1[C@@H:13]([OH:24])[C@H:14]([O:32][C@H:16]2[C@H:10]([N:18]=[C:6]([CH3:2])[OH:21])[C@@H:12]([OH:23])[C@H:11]([OH:22])[C@@H:8]([CH2:4][O:29][P:33]([OH:26])([OH:27])=[O:28])[O:31]2)[C@@H:7]([CH2:3][OH:19])[O:30][CH:15]1[OH:25])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64883
chebi:64883
KYKNQNQCPWDNAK-CBTAGEKQSA-L 		diacetylchitobiose-6'-phosphate
2-acetamido-2-deoxy-6-O-phosphonato-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
2-acetamido-4-O-(2-acetamido-2-deoxy-6-O-phosphonato-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose
N,N'-diacetylchitobiose-6-phosphate
diacetylchitobiose-6'-phosphate(2-)
diacetylchitobiose-6-phosphate

bigg.metabolite:chtbs6p
biggM:chtbs6p
KYKNQNQCPWDNAK-CBTAGEKQSA-L 		Diacetylchitobiose-6-phosphate

kegg.compound:C21152
keggC:C21152
KYKNQNQCPWDNAK-CBTAGEKQSA-N 		N,N'-Diacetylchitobiose 6'-phosphate

metacyc.compound:DIACETYLCHITOBIOSE-6-PHOSPHATE
metacycM:DIACETYLCHITOBIOSE-6-PHOSPHATE
KYKNQNQCPWDNAK-CBTAGEKQSA-L 		N,N'-diacetylchitobiose 6'-phosphate
diacetylchitobiose 6-phosphate

seed.compound:cpd26854
seedM:cpd26854
KYKNQNQCPWDNAK-CBTAGEKQSA-L 		chitobiose-6-phosphate
N,N'-diacetylchitobiose 6'-phosphate
diacetylchitobiose 6-phosphate
diacetylchitobiose-6-phosphate

CHEBI:64897
chebi:64897
KYKNQNQCPWDNAK-CBTAGEKQSA-N 		diacetylchitobiose-6'-phosphate
2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
2-acetamido-4-O-(2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose

biggM:M_chtbs6p
keggC:M_C21152
seedM:M_cpd26854 		secondary/obsolete/fantasy identifier