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beta-tri-N-acetylchitotriose

MNXM1271 is deprecated and here replaced by MNXM1103914
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103914 Image of MNXM1103914
referencechebi:71404
formulaC24H41N3O16
global charge0
mol weight627.597
InChIKeyWZZVUHWLNMNWLW-VFCSDQTKSA-N
InChIInChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1 Image of MNXM1103914
SMILES (mnx)[CH3:1][C:7](=[N:25][C@@H:13]1[C@@H:18]([OH:36])[C@H:20]([O:42][C@H:24]2[C@H:15]([N:27]=[C:9]([CH3:3])[OH:33])[C@@H:19]([OH:37])[C@H:21]([O:43][C@H:23]3[C@H:14]([N:26]=[C:8]([CH3:2])[OH:32])[C@@H:17]([OH:35])[C@H:16]([OH:34])[C@@H:10]([CH2:4][OH:28])[O:40]3)[C@@H:12]([CH2:6][OH:30])[O:41]2)[C@@H:11]([CH2:5][OH:29])[O:39][C@H:22]1[OH:38])[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71404
chebi:71404
WZZVUHWLNMNWLW-VFCSDQTKSA-N 		beta-tri-N-acetylchitotriose
(beta)-N,N',N''-triacetyl chitotriose
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
GlcNAcb1-4GlcNAcb1-4GlcNAcb
GlcNAcbeta1-4GlcNAcbeta1-4GlcNAcbeta
N,N',N''-triacetyl chitotriose beta-anomer
N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine
O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
beta-D-GlcNAc-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
beta-N,N',N''-triacetylchitotriose
triacetylchitotriose

vmhM:M01436
vmhmetabolite:M01436
WZZVUHWLNMNWLW-VFCSDQTKSA-N 		Chitin(N-1)

kegg.glycan:G00244
keggG:G00244
WZZVUHWLNMNWLW-VFCSDQTKSA-N 		Chitin
Chito-oligosaccharide
Chitotriitol

bigg.metabolite:chtn
biggM:chtn
WZZVUHWLNMNWLW-VFCSDQTKSA-N 		Chtn c

chebi:41763
biggM:M_chtn
keggG:M_G00244
vmhM:M_M01436 		secondary/obsolete/fantasy identifier