chlorophyll b (CHEBI:27888)

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CHEBI:27888 - chlorophyll b

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ChEBI Name	chlorophyll b

ChEBI ID	CHEBI:27888

ChEBI ASCII Name	chlorophyll b

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

Secondary ChEBI IDs	CHEBI:48802, CHEBI:3632, CHEBI:23158

Supplier Information	No supplier information found for this compound.

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Molfile

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M END): 24 ms

reading 136 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

136 atoms created

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

Script completed

Jmol script terminated

Molfile expand

Formula

C55H70MgN4O6

Net Charge

Average Mass

907.47300

Monoisotopic Mass

906.51458

InChI

InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1

InChIKey

NSMUHPMZFPKNMZ-VBYMZDBQSA-M

SMILES

CCC1=C(C=O)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 b (CHEBI:27888) has functional parent chlorophyllide b (CHEBI:38209) chlorophyll b (CHEBI:27888) has role cofactor (CHEBI:23357) chlorophyll b (CHEBI:27888) is a chlorophyll (CHEBI:28966) chlorophyll b (CHEBI:27888) is conjugate acid of chlorophyll b(1−) (CHEBI:61721)

Incoming	chlorophyll b(1−) (CHEBI:61721) is conjugate base of chlorophyll b (CHEBI:27888)

IUPAC Name

[methyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(2−)-κ⁴N²³,N²⁴,N²⁵,N²⁶]magnesium

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

Manual Xrefs	Databases
C00007376	KNApSAcK
C05307	KEGG COMPOUND
CHL	PDBeChem
MOL000004	COMe
View more database links

Registry Numbers	Types	Sources
1208909	Beilstein Registry Number	Beilstein
4651995	Beilstein Registry Number	Beilstein
519-62-0	CAS Registry Number	ChemIDplus
632951	Gmelin Registry Number	Gmelin

Last Modified

26 July 2019

CHEBI:27888 - chlorophyll b

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