input word = C00057959

Metabolite InformationStructural formula
Name Amia calva Substance P
Formula C54H81N15O14S
Mw 1195.58081314
CAS RN 168647-64-1
C_ID C00057959
InChIKey HKOLBALMHCYIBT-GMIRWQTLSA-N
InChICode InChI=1S/C54H81N15O14S/c1-30(2)21-39(51(80)63-36(46(58)75)18-20-84-3)62-45(74)26-60-48(77)40(23-32-12-14-34(72)15-13-32)66-52(81)41(22-31-9-5-4-6-10-31)67-50(79)38(16-17-44(57)73)65-53(82)42(24-33-25-59-29-61-33)68-54(83)43(28-71)69-49(78)37(11-7-8-19-55)64-47(76)35(56)27-70/h4-6,9-10,12-15,25,29-30,35-43,70-72H,7-8,11,16-24,26-28,55-56H2,1-3H3,(H2,57,73)(H2,58,75)(H,59,61)(H,60,77)(H,62,74)(H,63,80)(H,64,76)(H,65,82)(H,66,81)(H,67,79)(H,68,83)(H,69,78)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Amia calva Ref.
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