Metallothionein

Structural Information

Molecular Formula

C₇₇H₁₂₉N₂₇O₃₆S₇

SMILES

C[C@@H]([C@@H](C(=N[C@@H](CS)C(=N[C@@H](C)C(=N[C@@H](CO)C(=NCC(=N[C@@H](CCC(=N)O)C(=NC(CS)C(=N[C@H]([C@H](C)O)C(=N[C@H](CS)C(=N[C@H](CO)C(=NCC(=N[C@H](CS)C(=NCC(=N[C@H](CCCCN)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CS)N=C([C@H](CO)N=C([C@H](CO)N=C([C@H](C)N=C(CN=C([C@H](CO)N=C([C@H](CS)N=C(CN=C(C(CS)N=C(C(CC(=O)O)N=C(CN)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C77H129N27O36S7/c1-30(86-51(114)13-81-62(124)38(19-106)95-71(133)44(25-143)92-55(118)17-85-65(127)43(24-142)98-67(129)36(11-56(119)120)90-50(113)12-79)59(121)94-40(21-108)68(130)97-41(22-109)69(131)100-48(29-147)74(136)104-57(32(3)110)75(137)101-45(26-144)70(132)87-31(2)60(122)93-37(18-105)61(123)82-14-52(115)88-34(8-9-49(80)112)66(128)99-47(28-146)73(135)103-58(33(4)111)76(138)102-46(27-145)72(134)96-39(20-107)63(125)83-16-54(117)91-42(23-141)64(126)84-15-53(116)89-35(77(139)140)7-5-6-10-78/h30-48,57-58,105-111,141-147H,5-29,78-79H2,1-4H3,(H2,80,112)(H,81,124)(H,82,123)(H,83,125)(H,84,126)(H,85,127)(H,86,114)(H,87,132)(H,88,115)(H,89,116)(H,90,113)(H,91,117)(H,92,118)(H,93,122)(H,94,121)(H,95,133)(H,96,134)(H,97,130)(H,98,129)(H,99,128)(H,100,131)(H,101,137)(H,102,138)(H,103,135)(H,104,136)(H,119,120)(H,139,140)/t30-,31-,32-,33-,34-,35+,36?,37-,38-,39+,40-,41-,42+,43?,44-,45-,46+,47?,48-,57-,58+/m0/s1

InChIKey

DIGQNXIGRZPYDK-WKSCXVIASA-N

Compound name

(2R)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2R,3S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[2-[[2-[[2-[(2-amino-1-hydroxyethylidene)amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxyethylidene]amino]hexanoic acid

Related CIDs

• CID 156025075