Chem
J-GLOBAL ID：200907082981851044   Nikkaji number：J2.126.162I

8-[[2-Sulfo-4-[[6-[[2-[[1-O-hexadecanoyl-2-O-[12-(acryloyloxy)dodecanoyl]-L-glycero-3-phospho]oxy]ethyl]amino]-6-oxohexyl]aminosulfonyl]phenyl]]-2,3,5,6,10,11,12,12a,13,14,15-undecahydro-16-oxa-3a-azonia-12a-aza-1H,4H-dibenzo[de,jk]pentacene

8-[[2-スルホ-4-[[6-[[2-[[1-O-ヘキサデカノイル-2-O-[12-(アクリロイルオキシ)ドデカノイル]-L-グリセロ-3-ホスホ]オキシ]エチル]アミノ]-6-オキソヘキシル]アミノスルホニル]フェニル]]-2,3,5,6,10,11,12,12a,13,14,15-ウンデカヒドロ-16-オキサ-3a-アゾニア-12a-アザ-1H,4H-ジベンゾ[de,jk]ペンタセン
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： C73H108N3[N+]O17PS2
Molecular formula furigana： C73-H108-N4-O17-P-S2
Molecular weight： 1408.770
InChI： InChI=1S/C73H107N4O17PS2/c1-3-5-6-7-8-9-10-11-12-14-17-20-25-38-67(80)90-53-57(93-68(81)39-26-21-18-15-13-16-19-22-28-48-89-66(79)4-2)54-92-95(82,83)91-49-43-74-65(78)37-24-23-27-42-75-96(84,85)58-40-41-59(64(52-58)97(86,87)88)69-62-50-55-33-29-44-76-46-31-35-60(70(55)76)72(62)94-73-61-36-32-47-77-45-30-34-56(71(61)77)51-63(69)73/h4,40-41,50-52,57,75H,2-3,5-39,42-49,53-54H2,1H3,(H2-,74,78,82,83,86,87,88)/p+1/t57-/m1/s1
InChI key： LHXAUVCSOMRJRI-ODEQYEIHSA-O
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C2=c3cc4CCC[N+]5=c4c(CCC5)c3Oc3c4CCCN5CCCc(cc23)c45)c(c1)S(=O)(=O)O)OC(=O)CCCCCCCCCCCOC(=O)C=C
Systematic name  (3)：
  • 8-[[2-スルホ-4-[[6-[[2-[[1-O-ヘキサデカノイル-2-O-[12-(アクリロイルオキシ)ドデカノイル]-L-グリセロ-3-ホスホ]オキシ]エチル]アミノ]-6-オキソヘキシル]アミノスルホニル]フェニル]]-2,3,5,6,10,11,12,12a,13,14,15-ウンデカヒドロ-16-オキサ-3a-アゾニア-12a-アザ-1H,4H-ジベンゾ[de,jk]ペンタセン
  • 16-{4-[(5-{[2-({[(2R)-3-(ヘキサデカノイルオキシ)-2-{[12-(プロパ-2-エノイルオキシ)ドデカノイル]オキシ}プロポキシ](ヒドロキシ)ホスホリル}オキシ)エチル]カルバモイル}ペンチル)スルファモイル]-2-スルホフェニル}-3-オキサ-9λ5,23-ジアザヘプタシクロ[17.7.1.15,9.02,17.04,15.023,27.013,28]オクタコサ-1,4,9(28),13,15,17,19(27)-ヘプタエン-9-イリウム
  • 16-{4-[(5-{[2-({[(2R)-3-(hexadecanoyloxy)-2-{[12-(prop-2-enoyloxy)dodecanoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)ethyl]carbamoyl}pentyl)sulfamoyl]-2-sulfophenyl}-3-oxa-9λ5,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
Other name (1)：
  • 8-[[2-Sulfo-4-[[6-[[2-[[1-O-hexadecanoyl-2-O-[12-(acryloyloxy)dodecanoyl]-L-glycero-3-phospho]oxy]ethyl]amino]-6-oxohexyl]aminosulfonyl]phenyl]]-2,3,5,6,10,11,12,12a,13,14,15-undecahydro-16-oxa-3a-azonia-12a-aza-1H,4H-dibenzo[de,jk]pentacene
Thsaurus map：
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