chlorophyll a (CHEBI:18230)

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CHEBI:18230 - chlorophyll a

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ChEBI Name	chlorophyll a

ChEBI ID	CHEBI:18230

ChEBI ASCII Name	chlorophyll a

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:48807, CHEBI:3631, CHEBI:13974, CHEBI:23157

Supplier Information	ChemicalBook:CB7399440, eMolecules:484241, ZINC000000084153

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Molfile

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M END): 24 ms

reading 137 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

137 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C55H72MgN4O5

Net Charge

Average Mass

893.48900

Monoisotopic Mass

892.53531

InChI

InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

InChIKey

ATNHDLDRLWWWCB-AENOIHSZSA-M

SMILES

CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31

Roles Classification
Biological Role(s):	cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). (via porphyrins )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	chlorophyll a (CHEBI:18230) has functional parent chlorophyllide a (CHEBI:16900) chlorophyll a (CHEBI:18230) has role cofactor (CHEBI:23357) chlorophyll a (CHEBI:18230) is a chlorophyll (CHEBI:28966) chlorophyll a (CHEBI:18230) is a methyl ester (CHEBI:25248) chlorophyll a (CHEBI:18230) is conjugate acid of chlorophyll a(1−) (CHEBI:58416)

Incoming	7¹-hydroxychlorophyll a (CHEBI:76032) has functional parent chlorophyll a (CHEBI:18230) chlorophyll a(1−) (CHEBI:58416) is conjugate base of chlorophyll a (CHEBI:18230)

IUPAC Name

[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (2²R,17S,18S)-7-ethyl-2¹,2²,17,18-tetrahydro-2²-(methoxycarbonyl)-3,8,13,17-tetramethyl-2¹-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2−)]magnesium

Synonyms	Sources
(SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2−)-κN²³,κN²⁴,κN²⁵,κN²⁶)-magnesium	ChemIDplus
Chlorophyll	ChemIDplus
Chlorophyll a	KEGG COMPOUND
CHLOROPHYLL A	PDBeChem

Manual Xrefs	Databases
C00001528	KNApSAcK
C05306	KEGG COMPOUND
CLA	PDBeChem
DB02133	DrugBank
MOL000003	COMe
View more database links

Registry Numbers	Types	Sources
1208847	Beilstein Registry Number	Beilstein
4651978	Beilstein Registry Number	Beilstein
475109	Gmelin Registry Number	Gmelin
479-61-8	CAS Registry Number	ChemIDplus

Last Modified

20 November 2019

CHEBI:18230 - chlorophyll a

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