Linearmycin A

CAT: 1299-RM-L242000-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L242000-01Size:10 mg

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CAS Number

163596-98-3

Synonyms

(2E,4E,6E,8E,12E,15S,16S,17R,18E,20E,22E,24E,26E,35S,37S,38E,41R,43S,45R,47S,48E,52E,55S,57R) -60-amino-15,17,29,33,35,37,41,43,45,47,51,55,57-tridecahydroxy-2,14,16,30-tetramethyl-31-oxohexaconta-2,4,6,8,12,18,20,22,24,26,38,48,52-tridecaenoic acid

Molecular Formula

C64H101NO16

Molecular Weight

1140.5

Target Alternative Name

Linearmycin

Chemical Information

60-amino-15S,17R,29,33,35S,37S,41R,43S,45R,47S,51,55S,57R-tridecahydroxy-2,14,16S,30-tetramethyl-31-oxo-2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E,52E-hexacontatridecaenoic acid

Linearmycin A has been reported in Streptomyces with data available.

CAS Number	163596-98-3
PubChem CID	156588938
IUPAC Name	(2E,4E,6E,8E,12E,15S,16S,17R,18E,20E,22E,24E,26E,35S,37S,38E,41R,43S,45R,47S,48E,52E,55S,57R)-60-amino-15,17,29,33,35,37,41,43,45,47,51,55,57-tridecahydroxy-2,14,16,30-tetramethyl-31-oxohexaconta-2,4,6,8,12,18,20,22,24,26,38,48,52-tridecaenoic acid
Molecular Formula	C64H101NO16
Molecular Weight	1140.5
XLogP	2.5
Topological Polar Surface Area	343
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	46
Heavy Atom Count	81
Formal Charge	0
Complexity	2070

SMILES

C[C@@H]([C@@H](/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)CC(C[C@@H](C[C@@H](/C=C/C[C@H](C[C@@H](C[C@H](C[C@@H](/C=C/CC(/C=C/C[C@@H](C[C@@H](CCCN)O)O)O)O)O)O)O)O)O)O)O)O)[C@H](C(C)/C=C/CC/C=C/C=C/C=C/C=C(\C)/C(=O)O)O

InChI

InChI=1S/C64H101NO16/c1-46(27-19-15-11-7-5-8-12-16-20-28-47(2)64(80)81)63(79)49(4)61(77)37-22-18-14-10-6-9-13-17-21-36-60(76)48(3)62(78)45-59(75)44-58(74)42-54(70)34-25-33-53(69)41-57(73)43-56(72)40-52(68)32-24-30-50(66)29-23-31-51(67)39-55(71)35-26-38-65/h5-10,12-14,16-25,27-29,32,34,37,46,48-61,63,66-77,79H,11,15,26,30-31,33,35-36,38-45,65H2,1-4H3,(H,80,81)/b7-5+,10-6+,12-8+,13-9+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,47-28+/t46?,48?,49-,50?,51-,52+,53+,54+,55+,56-,57-,58+,59?,60?,61+,63-/m0/s1

InChIKey

FHAYEICQQMDOQQ-SFBFHZDRSA-N

Chemical Structure

2D Structure

CAS: 163596-98-3

CID: 156588938

Formula: C64H101NO16

MW: 1140.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1140.5
XLogP3	2.5
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	46
Exact Mass	1139.71203613
Monoisotopic Mass	1139.71203613
Topological Polar Surface Area	343 Å²
Heavy Atom Count	81
Formal Charge	0
Complexity	2070
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	13
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
L057-0.5MG	Linearmycin A
GTR19191632	Linearmycin B

Linearmycin A

Chemical Information

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