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Linearmycin B

CAT: 0926-HHA29165-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-HHA29165-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182291-65-2
Smiles
CC (C=CCCC=CC=CC=CC=CC=C (C) C (=O) O) C (C (C) C (C=CC=CC=CC=CC=CCC (C (C) C (=O) CC (CC (CC (C=CCC (CC (CC (CC (C=CCC (C=CCC (CC (CCCN) O) O) O) O) O) O) O) O) O) O) O) O) O
Molecular Formula
C66H103NO16
Molecular Weight
1,166.5 g/mol
Controlled
No

Chemical Information

Linearmycin B

Linearmycin B is a very long-chain fatty acid.

CAS Number182291-65-2
PubChem CID10328913
IUPAC Name(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E,28E,40E,50E,54E)-62-amino-17,19,31,35,37,39,43,45,47,49,53,57,59-tridecahydroxy-2,16,18,32-tetramethyl-33-oxodohexaconta-2,4,6,8,10,14,20,22,24,26,28,40,50,54-tetradecaenoic acid
Molecular FormulaC66H103NO16
Molecular Weight1166.5
XLogP3.1
Topological Polar Surface Area343
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count47
Heavy Atom Count83
Formal Charge0
Complexity2150
SMILES
CC(/C=C/CC/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)O)C(C(C)C(/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)CC(CC(CC(/C=C/CC(CC(CC(CC(/C=C/CC(/C=C/CC(CC(CCCN)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C66H103NO16/c1-48(29-21-17-13-9-6-5-7-10-14-18-22-30-49(2)66(82)83)65(81)51(4)63(79)39-24-20-16-12-8-11-15-19-23-38-62(78)50(3)64(80)47-61(77)46-60(76)44-56(72)36-27-35-55(71)43-59(75)45-58(74)42-54(70)34-26-32-52(68)31-25-33-53(69)41-57(73)37-28-40-67/h5-12,14-16,18-27,29-31,34,36,39,48,50-63,65,68-79,81H,13,17,28,32-33,35,37-38,40-47,67H2,1-4H3,(H,82,83)/b7-5+,9-6+,12-8+,14-10+,15-11+,20-16+,22-18+,23-19+,29-21+,31-25+,34-26+,36-27+,39-24+,49-30+
InChIKey
DHFLEVLIHWJIAE-OTPULODUSA-N
Chemical Structure
2D Structure
2D structure of Linearmycin B
CAS: 182291-65-2
CID: 10328913
Formula: C66H103NO16
MW: 1166.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1166.5
XLogP33.1
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count47
Exact Mass1165.72768620
Monoisotopic Mass1165.72768620
Topological Polar Surface Area343 Ų
Heavy Atom Count83
Formal Charge0
Complexity2150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count14
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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