Chem
J-GLOBAL ID:200907043085426657
Nikkaji number:J476.748I
Pantetheine-S-sulfonic acid calcium
パンテテイン-S-スルホン酸カルシウム
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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:
C22 H42 CaN4 O14 S4
Molecular formula furigana:
C22-H42-CA-N4-O14-S4
Molecular weight:
754.910
InChI:
InChI=1S/2C11H22N2O7S2.Ca/c2*1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20;/h2*9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20);/q;;+2/p-2/t2*9-;/m00./s1
InChI key:
CILGDYPFLJJNKT-NAWJVIAPSA-L
SMILES:
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSS(=O)(=O)O[Ca]OS(=O)(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
Systematic name (4):
ビス[チオ硫酸S-[2-[3-[[(2R)-2,4-ジヒドロキシ-3,3-ジメチルブチリル]アミノ]プロピオニルアミノ]エチル]]カルシウム
ビス[(2R)-2,4-ジヒドロキシ-N-[2-[[2-(スルホチオ)エチル]カルバモイル]エチル]-3,3-ジメチルブチルアミド]カルシウム
1-{3-[(2R)-2,4-ジヒドロキシ-3,3-ジメチルブタンアミド]プロパンアミド}-2-[({[({[(2-{3-[(2R)-2,4-ジヒドロキシ-3,3-ジメチルブタンアミド]プロパンアミド}エチル)スルファニル]スルホニル}オキシ)カルシオ]オキシ}スルホニル)スルファニル]エタン
1-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-2-[({[({[(2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]sulfonyl}oxy)calcio]oxy}sulfonyl)sulfanyl]ethane
Other name (5):
パンテテイン-S-スルホン酸カルシウム
Pantetheine-S-sulfonic acid calcium
Bis[(2R)-2,4-dihydroxy-N-[2-[[2-(sulfothio)ethyl]carbamoyl]ethyl]-3,3-dimethylbutyramide] calcium salt
D-パンテテイン-S-スルホン酸カルシウム
D-Pantetheine-S-sulfonic acid calcium salt
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