input word = C00057913

Metabolite InformationStructural formula
Name Oncorhynchus mykiss Urotensin II
Formula C62H83N15O18S2
Mw 1389.54819242
CAS RN 152344-00-8
C_ID C00057913
InChIKey DENKEZGJLGUMDL-UXRPLVKRSA-N
InChICode InChI=1S/C62H83N15O18S2/c1-32(2)52(62(94)95)77-61(93)47-31-97-96-30-46(75-54(86)40(19-20-51(83)84)70-59(91)45(29-78)74-58(90)44(25-48(65)80)68-50(82)28-67-49(81)26-64)60(92)72-41(22-33-10-4-3-5-11-33)55(87)73-43(24-35-27-66-38-13-7-6-12-37(35)38)57(89)69-39(14-8-9-21-63)53(85)71-42(56(88)76-47)23-34-15-17-36(79)18-16-34/h3-7,10-13,15-18,27,32,39-47,52,66,78-79H,8-9,14,19-26,28-31,63-64H2,1-2H3,(H2,65,80)(H,67,81)(H,68,82)(H,69,89)(H,70,91)(H,71,85)(H,72,92)(H,73,87)(H,74,90)(H,75,86)(H,76,88)(H,77,93)(H,83,84)(H,94,95)/t39-,40-,41-,42-,43-,44+,45-,46-,47-,52-/m0/s1
SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSalmonidaeOncorhynchus mykiss Ref.
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