input word = C00055153

Metabolite InformationStructural formula
Name Cam-PDH
Formula C83H143N23O27S
Mw 1926.02444726
CAS RN 98798-59-5
C_ID C00055153
InChIKey PKIZSEQHUNPHEC-IXMPYEKYSA-N
InChICode InChI=1S/C83H143N23O27S/c1-15-42(11)65(104-76(126)50(29-39(5)6)96-70(120)47(22-23-62(113)114)93-77(127)55(36-107)101-68(118)45(85)31-58(86)109)82(132)100-52(33-60(88)111)75(125)102-56(37-108)78(128)105-66(43(12)16-2)81(131)99-49(28-38(3)4)69(119)90-35-61(112)92-54(30-40(7)8)83(133)106-26-19-21-57(106)79(129)94-46(20-17-18-25-84)72(122)103-64(41(9)10)80(130)95-48(24-27-134-14)71(121)97-51(32-59(87)110)74(124)98-53(34-63(115)116)73(123)91-44(13)67(89)117/h38-57,64-66,107-108H,15-37,84-85H2,1-14H3,(H2,86,109)(H2,87,110)(H2,88,111)(H2,89,117)(H,90,119)(H,91,123)(H,92,112)(H,93,127)(H,94,129)(H,95,130)(H,96,120)(H,97,121)(H,98,124)(H,99,131)(H,100,132)(H,101,118)(H,102,125)(H,103,122)(H,104,126)(H,105,128)(H,113,114)(H,115,116)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-,65-,66-/m0/s1
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(N)=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cancer magister Ref.
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