Z7B

(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate

Created:	2012-12-17
Last modified:	2025-12-17

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1 entries where Z7B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	104
Chiral Atom Count	5
Bond Count	103
Aromatic Bond Count	0

2D diagram of Z7B

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Chemical Component Summary
Name	(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl] dihydrogen phosphate
Formula	C₃₂ H₆₇ O₄ P
Molecular Weight	546.846
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCCCC(CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C)(O)O
SMILES	CACTVS	3.370	CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O
Canonical SMILES	CACTVS	3.370	CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30-,31-,32-/m0/s1
InChIKey	InChI	1.03	WLNOCCJMGSEDAT-XDIGFQIYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.