input word = C00015499

Metabolite InformationStructural formula
Name AC 326-alpha
Formula C69H108N5O35P
Mw 1597.65624675
CAS RN 264919-55-3
C_ID C00015499 ,
InChIKey CJEVNOPGHRTYFE-ZBBGEAIENA-N
InChICode InChI=1S/C69H108N5O35P/c1-29(14-11-12-20-67(6,7)22-18-30(2)24-34-31(3)15-13-21-68(34,8)9)19-23-97-40(60(91)92)28-99-110(95,96)109-65-55(56(108-66(71)93)69(10,94)57(107-65)58(70)89)106-62-43(73-33(5)78)46(83)53(39(102-62)27-98-63-50(87)47(84)44(81)37(25-75)100-63)103-61-42(72-32(4)77)45(82)52(38(26-76)101-61)104-64-51(88)48(85)49(86)54(105-64)59(90)74-41-35(79)16-17-36(41)80/h12,19-20,34,37-40,42-57,61-65,75-76,79,81-88,94H,2-3,11,13-18,21-28H2,1,4-10H3,(H2,70,89)(H2,71,93)(H,72,77)(H,73,78)(H,74,90)(H,91,92)(H,95,96)/b20-12+,29-19-/t34-,37+,38+,39+,40+,42+,43+,44-,45+,46+,47-,48-,49+,50+,51+,52-,53+,54-,55+,56+,57+,61+,62-,63-,64+,65+,69-/m0/s1
SMILES [C@H]1([C@H]([C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]2[C@H]([C@]([C@@H](C(=O)N)O[C@@H]2O[P@](=O)(O)OC[C@@H](OC/C=C(\CC/C=C/C(CCC(=C)C[C@@H]2C(CCCC2=C)(C)C)(C)C)/C)C(=O)O)(C)O)OC(=O)N)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C(=O)NC1=C(CCC1=O)O)CO)NC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
BacteriaActinomycetaceaeActinomyces AC326 Ref.
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