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Concept information

organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > 3-(1-hydroxyethyl)chlorophyllide a
organooxygen compound > ester > carboxylic ester > methyl ester > 3-(1-hydroxyethyl)chlorophyllide a
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > 3-(1-hydroxyethyl)chlorophyllide a

Preferred term

3-(1-hydroxyethyl)chlorophyllide a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C35H36MgN4O6

inchi

  • InChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-13,15,18,20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t15-,18?,20-,31+;/m0./s1

inchikey

  • XHIUJNYELFMQPP-MKOLCNDBSA-L

mass

  • 632.990

monoisotopicmass

  • 632.24853

smiles

  • C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(O)C

subset

  • 3_STAR

synonym EXACT

  • {3-[(3S,4S,21R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81545

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