CHEBI:232141 - chlorophyllin

ChEBI IDCHEBI:232141
ChEBI Namechlorophyllin
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SubmitterFlyBase
DownloadsMolfile
FormulaC34H34N4O6.Mg
Net Charge0
Average Mass618.973
Monoisotopic Mass618.23288
SMILESC=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5nc(cc1[n-]2)c(C)c5CC)C(C)=C4C(=O)O)C(CCC(=O)[O-])C3C.[Mg+2]
InChIInChI=1S/C34H36N4O6.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2
InChIKeyUVOXKYYHMDAWNK-UHFFFAOYSA-L
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
chlorophyllin (CHEBI:232141) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
magnesium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate;hydron
Synonym  Source
magnesium chlorophyllinSUBMITTER
Manual XrefsDatabases
https://en.wikipedia.org/wiki/ChlorophyllinWikipedia
Registry NumbersSources
CAS:15611-43-5SUBMITTER