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acarbose

MNXM39980 is deprecated and here replaced by MNXM735434
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735434 Image of MNXM735434
referencechebi:84363
formulaC25H44NO18
global charge1
mol weight646.616
InChIKeyXUFXOAAUWZOOIT-UGEKTDRHSA-O
InChIInChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/p+1/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
SMILESC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 Image of MNXM735434
SMILES (mnx)[CH3:1][C@@H:6]1[C@@H:11]([NH:26][C@H:8]2[CH:2]=[C:7]([CH2:3][OH:27])[C@@H:12]([OH:30])[C@H:15]([OH:33])[C@H:13]2[OH:31])[C@H:14]([OH:32])[C@@H:19]([OH:37])[C@@H:24]([O:43][C@@H:22]2[C@@H:10]([CH2:5][OH:29])[O:42][C@H:25]([O:44][C@@H:21]3[C@@H:9]([CH2:4][OH:28])[O:41][CH:23]([OH:39])[C@H:18]([OH:36])[C@H:16]3[OH:34])[C@H:20]([OH:38])[C@H:17]2[OH:35])[O:40]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:84363
chebi:84363
XUFXOAAUWZOOIT-UGEKTDRHSA-O 		acarbose
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]azaniumyl}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose
acarbose(1+)

kegg.compound:C06802
keggC:C06802
XUFXOAAUWZOOIT-UGEKTDRHSA-N 		Acarbose

kegg.drug:D00216
keggD:D00216
XUFXOAAUWZOOIT-UGEKTDRHSA-N 		Acarbose (JAN/USAN/INN)
Precose (TN)

seed.compound:cpd04174
seedM:cpd04174
XUFXOAAUWZOOIT-UGEKTDRHSA-N 		Acarbose
Glucobay
Prandase
acarbose

CHEBI:2376
chebi:2376
XUFXOAAUWZOOIT-UGEKTDRHSA-N 		acarbose
4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose
Glucobay
Precose
acarbosa
acarbosum

metacyc.compound:CPD-17528
metacycM:CPD-17528
XUFXOAAUWZOOIT-UGEKTDRHSA-N 		acarbose
Glucobay
Prandase

chebi:40513
keggC:M_C06802
keggD:M_D00216
seedM:M_cpd04174 		secondary/obsolete/fantasy identifier