conantokin-G   

GtoPdb Ligand ID: 4161

Synonyms: conotoxin GV
Comment: From Conus geographus (Geography cone)
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CO)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O
InChI InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
InChI Key HTBKFGWATIYCSF-QGXIKSNHSA-N
Classification
Compound class Peptide or derivative
Synonyms
conotoxin GV
Database Links
CAS Registry No. 93438-65-4 (source: Scifinder)
ChEMBL Ligand CHEMBL525025
GtoPdb PubChem SID 178100981
PubChem CID 16181638
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UniProtKB P07231 (Gc)