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GA1 (homo sapiens)

PropertiesImage
MNX_IDMNXM1104126 Image of MNXM1104126
referencebiggM:ga1_hs
formulaC45H79N2O23*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C46H82N2O23/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(55)25(47-23(2)53)22-64-44-38(62)35(59)41(29(20-51)67-44)70-46-39(63)36(60)40(30(21-52)68-46)69-43-31(48-24(3)54)42(33(57)28(19-50)65-43)71-45-37(61)34(58)32(56)27(18-49)66-45/h16-17,25-46,49-52,55-63H,4-15,18-22H2,1-3H3,(H,47,53)(H,48,54)/b17-16+/t25-,26+,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44+,45-,46-/m0/s1/i2+1 Image of MNXM1104126
SMILES (mnx)[CH3:1][13CH2:2][C@@H:3]1[CH2:4][C@H:5]([CH2:6][C@H:7]2[C@@H:8]([CH3:9])[C@@H:10]([O:64][OH:65])[CH2:11][C@@H:12]([CH2:13][C@H:14]3[C@@H:15]([CH3:16])[C@H:17]([CH3:18])[CH:19]([CH2:20][C@H:21]4[CH:22]([CH3:23])[C@H:24]([CH3:25])[C@@H:26]([CH2:27][CH2:28][C@H:29]([CH2:30][C:31]([CH3:32])=[CH2:33])[C@@H:34]([CH3:35])/[CH:36]=[CH:37]/[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][NH:47][NH:48][O:49][OH:50])[O:51][O:52]4[O:53][OH:54])[O:55][O:56]3[O:57][OH:58])[O:59]2[O:60][O:61](=[O:62])[OH:63])[O@:66]([OH:67])[O@:68]([OH:69])[O@:70]1[OH:71]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:ga1_hs
biggM:ga1_hs
GA1 (homo sapiens)

biggM:M_ga1_hs
secondary/obsolete/fantasy identifier