Term: | [Ser7]MC-HtyR |
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Accession: | CHEBI:214231
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Synonyms: | exact_synonym: | (2S,5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| related_synonym: | Formula=C52H74N10O14; InChI=1S/C52H74N10O14/c1-28(25-29(2)41(76-6)26-34-11-8-7-9-12-34)14-20-36-30(3)44(66)61-39(50(72)73)22-23-42(65)57-40(27-63)49(71)56-32(5)46(68)60-38(21-17-33-15-18-35(64)19-16-33)48(70)62-43(51(74)75)31(4)45(67)59-37(47(69)58-36)13-10-24-55-52(53)54/h7-9,11-12,14-16,18-20,25,29-32,36-41,43,63-64H,10,13,17,21-24,26-27H2,1-6H3,(H,56,71)(H,57,65)(H,58,69)(H,59,67)(H,60,68)(H,61,66)(H,62,70)(H,72,73)(H,74,75)(H4,53,54,55)/b20-14+,28-25+/t29-,30-,31-,32+,36-,37-,38-,39+,40-,41-,43+/m0/s1; InChIKey=XDDLLCZTPLZHNO-ZOIKCHQHSA-N; SMILES=O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N[C@H]1CO)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC3=CC=C(O)C=C3)C |
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