Chem
J-GLOBAL ID:200907062519683364
Nikkaji number:J591.181H
[14,15,19,19,20,20-3 H]LTD4
S-[(1R,2E,4E,6Z,9Z)-1-[(S)-4-カルボキシ-1-ヒドロキシブチル](9,10,14,14,15,15-3 H6 )ペンタデカ-2,4,6,9-テトラエン-1-イル]-L-Cys-Gly-OH
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H34 [3 H]6 N2 O6 S
Molecular formula furigana:
C25-H40-N2-O6-S
Molecular weight:
508.710
InChI:
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1/i1T2,2T2,6T,7T
InChI key:
YEESKJGWJFYOOK-BKUPATSKSA-N
SMILES:
C([3H])([3H])C([3H])([3H])CCC/C(=C(/[3H])\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O)/[3H]
Systematic name (3):
S-[(1R,2E,4E,6Z,9Z)-1-[(S)-4-カルボキシ-1-ヒドロキシブチル](9,10,14,14,15,15-3 H6 )ペンタデカ-2,4,6,9-テトラエン-1-イル]-L-Cys-Gly-OH
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-アミノ-2-[(カルボキシメチル)カルバモイル]エチル]スルファニル}-5-ヒドロキシ(14,15,19,19,20,20-3 H6 )イコサ-7,9,11,14-テトラエン酸
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxy(14,15,19,19,20,20-3 H6 )icosa-7,9,11,14-tetraenoic acid
Other name (3):
[14,15,19,19,20,20-3 H]LTD4
S-[(1R,2E,4E,6Z,9Z)-1-[(S)-4-Carboxy-1-hydroxybutyl](9,10,14,14,15,15-3 H6 )pentadeca-2,4,6,9-tetren-1-yl]-L-Cys-Gly-OH
S-[(1R,2E,4E,6Z,9Z)-1-[(S)-4-Carboxy-1-hydroxybutyl](9,10,14,14,15,15-3 H6 )pentadeca-2,4,6,9-tetrene-1-yl]-L-Cys-Gly-OH
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