About: 8-Benzyl-15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

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About: 8-Benzyl-15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid Goto Sponge Distinct Permalink

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group of stereoisomers with the chemical formula C₅₂H₇₂N₁₀O₁₂

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₅₂H₇₂N₁₀O₁₂ (en) група стереоізомерів з хімічною формулою C₅₂H₇₂N₁₀O₁₂ (uk)
rdfs:label	8-Benzyl-15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid (en)
skos:prefLabel	8-Benzyl-15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid (en)
name	8-Benzyl-15-[3-(diaminomethylideneamino)propyl]-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid (en)
instance of	wds:Q104172295-1BFE5B8C-D0EF-4C3E-AFB3-C0DE7A75246C
instance of	group of stereoisomers
subclass of	wds:Q104172295-045B2FD6-B093-4DB4-8AAB-836213085CAC
subclass of	biogenic cyclopeptide
canonical SMILES	wds:Q104172295-8F4032F6-09E0-4C29-9CA5-55664423CEA8
InChI	wds:Q104172295-E66DCFA1-9F3B-4FB2-8F01-1593D43A3F13
InChIKey	wds:Q104172295-33585699-3794-4D7C-AB8A-DF2EB6126D55
chemical formula	wds:Q104172295-7079D72E-3125-4B77-AA0D-2BFA20A4A33E
PubChem CID	wds:Q104172295-24AA4CED-5894-4371-A6BC-E98E61C8DFEF
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162918923
canonical SMILES	C=C1C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)O)C(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C
InChI	InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)
InChIKey	NCIZAPYSXYPFOU-UHFFFAOYSA-N
chemical formula	C₅₂H₇₂N₁₀O₁₂
PubChem CID	162918923
mass	wds:Q104172295-ED6E79D1-B04E-4207-B1C0-AE0DC5AD9C78
mass	1029.1899 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104172295
is subclass of of	Microcystin-FR
is subclass of of	wds:Q75055110-61998022-04CD-4DCE-A04D-5C7941879E05

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