(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
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![(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/149883a6c7f84214ab3bd0a690608095.png "(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid")
(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
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CAS No:
101899-44-9
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Formula:
C15H21NO6
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Chemical Name:
(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
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Synonyms:
Isodomoic acid A; DDAJBUQQWFXHDM-UUYKTWPLSA; InChI=1/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h4-5,10-11,13,16H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-4-,9-5+/t10-,11+,13-/m0/s1; (2S,3S,4S)-3-(carboxymethyl)-4-[(2Z,5E)-7-hydroxy-6-methyl-7-oxohepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid;
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CAS No:
Description
Isodomoic acid A is an L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,5-dien-2-yl group at position 4. It is isolated from the red alga, Chondria armata. It has a role as an algal metabolite and a marine metabolite. It is a tricarboxylic acid, a L-proline derivative, a pyrrolidinecarboxylic acid and an olefinic compound. It is a conjugate acid of an isodomoate A(2-).
(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid Basic Attributes
311.33000
311.13688739
Computed Properties
Molecular Weight:311.33
XLogP3:-1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:311.13688739
Monoisotopic Mass:311.13688739
Topological Polar Surface Area:124
Heavy Atom Count:22
Complexity:522
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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