input word = C00018164

Metabolite InformationStructural formula
Name Pholipomycin
Formula C63H98N5O30P
Mw 1435.60342332
CAS RN 56092-18-3
C_ID C00018164 ,
InChIKey XYJIXNBDVDMTFA-NBMLEATMNA-N
InChICode InChI=1S/C63H98N5O30P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-62(8,9)23-12-11-15-31(4)22-25-88-39(56(82)83)28-89-99(86,87)98-60-51(52(97-61(65)84)63(10,85)53(96-60)54(64)80)95-58-42(67-34(7)72)43(75)48(37(26-69)91-58)92-57-41(66-33(6)71)44(76)49(38(27-70)90-57)93-59-47(79)45(77)46(78)50(94-59)55(81)68-40-35(73)19-20-36(40)74/h12,14,17,22-23,37-39,41-53,57-60,69-70,73,75-79,85H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,64,80)(H2,65,84)(H,66,71)(H,67,72)(H,68,81)(H,82,83)(H,86,87)/b23-12+,30-17+,31-22-/t37-,38-,39-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,57+,58+,59-,60-,63+/m1/s1
SMILES C1CC(=O)C(=C1O)NC(=O)[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](O[P@](=O)(O)OC[C@@H](OC/C=C(/C)\CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)O)O[C@@H]([C@@]([C@H]1OC(=O)N)(C)O)C(=O)N)NC(=O)C)O)NC(=O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lividoclavatus No.3176 Ref.
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OrganismStreptomyces lividoclavatus No.3176
ReferenceArai,J. Antibiotics,30,(1977),1049