input word = C00029717

Metabolite InformationStructural formula
Name Arganine L
Formula C62H98O31
Mw 1338.60920642
CAS RN 1028483-86-4
C_ID C00029717 ,
InChIKey JZCCFVBSLOUKDQ-KQSHXAQQNA-N
InChICode InChI=1S/C62H98O31/c1-24-41(87-50-40(76)42(30(68)20-83-50)88-54-46(77)62(81,22-64)23-85-54)35(71)38(74)51(86-24)90-44-34(70)29(67)19-84-53(44)93-55(80)61-14-12-56(2,3)16-26(61)25-8-9-32-57(4)17-27(65)47(58(5,21-63)31(57)10-11-60(32,7)59(25,6)13-15-61)92-52-39(75)36(72)43(45(91-52)48(78)79)89-49-37(73)33(69)28(66)18-82-49/h8,24,26-47,49-54,63-77,81H,9-23H2,1-7H3,(H,78,79)/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,49-,50-,51-,52-,53-,54-,57+,58-,59+,60+,61-,62+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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