Search MNXref
 Feedback

N,N',N''-triacetylchitotriose

MNXM153398 is deprecated and here replaced by MNXM729565
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729565 Image of MNXM729565
referencechebi:143141
formulaC24H41N3O16
global charge0
mol weight627.597
InChIKeyWZZVUHWLNMNWLW-MEWKLCDLSA-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]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=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 MNXM729565
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][CH:22]1[OH:38])[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143141
chebi:143141
WZZVUHWLNMNWLW-MEWKLCDLSA-N 		N,N',N''-triacetylchitotriose
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose

metacyc.compound:CPD-13227
metacycM:CPD-13227
WZZVUHWLNMNWLW-MEWKLCDLSA-N 		N,N',N''-triacetylchitotriose
triacetylchitotriose

seed.compound:cpd23788
seedM:cpd23788
WZZVUHWLNMNWLW-MEWKLCDLSA-N 		chitotriose
N,N',N''-triacetylchitotriose
triacetylchitotriose

seedM:M_cpd23788 		secondary/obsolete/fantasy identifier