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Fetuin Cell Culture Tested

CAT: 0459-Tc1278-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
9014-81-7

Chemical Information

Fetuins

A family of calcium-binding alpha-globulins that are synthesized in the LIVER and play an essential role in maintaining the solubility of CALCIUM in the BLOOD. In addition the fetuins contain aminoterminal cystatin domains and are classified as type 3 cystatins.

CAS Number9014-81-7
PubChem CID167312532
IUPAC Name[30-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,8,12-trien-2-yl]amino]-30-oxotriaconta-12,15-dienyl] icosa-11,14-dienoate
Molecular FormulaC70H123NO10
Molecular Weight1138.7
XLogP20.2
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count58
Heavy Atom Count81
Formal Charge0
Complexity1620
SMILES
CCCCCC=CCC=CCCCCCCCCCC(=O)OCCCCCCCCCCCC=CCC=CCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCC=CC)O
InChI
InChI=1S/C70H123NO10/c1-3-5-7-9-11-13-14-15-16-28-32-35-38-42-46-50-54-58-66(75)79-59-55-51-47-43-39-36-33-30-27-25-23-21-19-17-18-20-22-24-26-29-31-34-37-41-45-49-53-57-65(74)71-62(63(73)56-52-48-44-40-12-10-8-6-4-2)61-80-70-69(78)68(77)67(76)64(60-72)81-70/h4,6,11-13,15-18,21,23,40,52,56,62-64,67-70,72-73,76-78H,3,5,7-10,14,19-20,22,24-39,41-51,53-55,57-61H2,1-2H3,(H,71,74)
InChIKey
XZDRNDBKYKTHMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fetuins
CAS: 9014-81-7
CID: 167312532
Formula: C70H123NO10
MW: 1138.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1138.7
XLogP320.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count58
Exact Mass1137.91469912
Monoisotopic Mass1137.91469912
Topological Polar Surface Area175 Ų
Heavy Atom Count81
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count7
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes