input word = C00043417

Metabolite InformationStructural formula
Name Cryptocandin
Formula C51H82N8O17
Mw 1078.57979325
CAS RN 248250-94-4
C_ID C00043417 ,
InChIKey GYMNBBQUGVYSCX-UHFFFAOYNA-N
InChICode InChI=1S/C51H82N8O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-38(66)53-34-24-36(64)47(72)57-49(74)41-42(67)30(27-60)25-59(41)50(75)33(21-22-37(52)65)54-48(73)40(44(69)43(68)29-17-19-31(62)20-18-29)56-46(71)35-23-32(63)26-58(35)51(76)39(28(2)61)55-45(34)70/h17-20,28,30,32-36,39-44,47,60-64,67-69,72H,3-16,21-27H2,1-2H3,(H2,52,65)(H,53,66)(H,54,73)(H,55,70)(H,56,71)(H,57,74)/t28-,30+,32+,33+,34+,35-,36+,39+,40-,41+,42-,43+,44+,47+/m1/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H]([C@H](C[C@@H](C(=O)N[C@H](C(=O)N3[C@@H]1C[C@@H](C3)O)[C@@H](C)O)NC(=O)CCCCCCCCCCCCCCC)O)O)[C@@H]([C@@H](C2)CO)O)CCC(=O)N)[C@H](O)[C@H](c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
FungiDermateaceaeCryptosporiopsis cf. quercina Ref.
zoom in