input word = C00029718

Metabolite InformationStructural formula
Name Arganine O
Formula C51H80O23
Mw 1060.50903886
CAS RN 1028483-88-6
C_ID C00029718 ,
InChIKey ZVAOCTGVMXKHPV-JTVWPYCZNA-N
InChICode InChI=1S/C51H80O23/c1-46(2)11-13-51(45(66)74-43-35(62)31(58)26(19-69-43)70-41-33(60)29(56)24(54)17-67-41)14-12-49(5)21(22(51)15-46)7-8-28-47(3)16-23(53)39(48(4,20-52)27(47)9-10-50(28,49)6)73-44-36(63)32(59)37(38(72-44)40(64)65)71-42-34(61)30(57)25(55)18-68-42/h7,22-39,41-44,52-63H,8-20H2,1-6H3,(H,64,65)/t22-,23-,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,41-,42-,43-,44-,47-,48+,49+,50+,51-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(C[C@@H]([C@@H]([C@@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C(=O)O)O)C)C)C(=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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