input word = C00017554

Metabolite InformationStructural formula
Name Sandramycin
Formula C60H76N12O16
Mw 1220.55022447
CAS RN 100940-65-6
C_ID C00017554 ,
InChIKey WXIVYIYCEBUEHL-UHFFFAOYNA-N
InChICode InChI=1S/C60H76N12O16/c1-33(2)51-59(85)87-31-39(65-55(81)49-43(73)25-35-17-9-11-19-37(35)63-49)57(83)71-23-15-13-21-41(71)53(79)62-28-46(76)68(6)30-48(78)70(8)52(34(3)4)60(86)88-32-40(66-56(82)50-44(74)26-36-18-10-12-20-38(36)64-50)58(84)72-24-16-14-22-42(72)54(80)61-27-45(75)67(5)29-47(77)69(51)7/h9-12,17-20,25-26,33-34,39-42,51-52,73-74H,13-16,21-24,27-32H2,1-8H3,(H,61,80)(H,62,79)(H,65,81)(H,66,82)/t39-,40+,41-,42-,51-,52+/m1/s1
SMILES C1CCN2[C@H](C1)C(=O)NCC(=O)N(CC(=O)N([C@@H](C(=O)OC[C@H](C(=O)N1[C@@H](C(=O)NCC(=O)N(CC(=O)N([C@H](C(=O)OC[C@@H](C2=O)NC(=O)c2nc3c(cc2O)cccc3)C(C)C)C)C)CCCC1)NC(=O)c1nc2c(cc1O)cccc2)C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
--Nocardioides sp. ATCC 39419 Ref.
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