Chem
J-GLOBAL ID：201407027428647730
Nikkaji number：J3.327.656G
[N-[[98-(38-Methoxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-yl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96-dotriacontaoxaoctanonacontan-1-yl]oxycarbonyl]-2-[(1-O,2-O-dioleoyl-L-glycero-3-phospho)oxy]ethylamine]anion
[N-[[98-(38-メトキシ-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキサオクタトリアコンタン-1-イル)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96-ドトリアコンタオキサオクタノナコンタン-1-イル]オキシカルボニル]-2-[(1-O,2-O-ジオレオイル-L-グリセロ-3-ホスホ)オキシ]エチルアミン]アニオン
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
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
Molecular formula： C135H263NO54[O-]P
Molecular formula furigana： C135-H263-N-O55-P
Molecular weight： 2811.515
InChI：
InChI=1S/C135H264NO55P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-133(137)188-130-132(191-134(138)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)131-190-192(140,141)189-41-38-136-135(139)187-129-128-186-127-126-185-125-124-184-123-122-183-121-120-182-119-118-181-117-116-180-115-114-179-113-112-178-111-110-177-109-108-176-107-106-175-105-104-174-103-102-173-101-100-172-99-98-171-97-96-170-95-94-169-93-92-168-91-90-167-89-88-166-87-86-165-85-84-164-83-82-163-81-80-162-79-78-161-77-75-159-71-69-156-65-63-153-59-57-150-53-51-147-47-45-144-40-35-34-39-143-44-46-146-50-52-149-56-58-152-62-64-155-68-70-158-74-76-160-73-72-157-67-66-154-61-60-151-55-54-148-49-48-145-43-42-142-3/h18-21,132H,4-17,22-131H2,1-3H3,(H,136,139)(H,140,141)/p-1/b20-18-,21-19-/t132-/m1/s1
InChI key：
QNRZYTNBBBREFQ-GNCCUCTJSA-M
SMILES：
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)OC(=O)CCCCCCC/C=C\CCCCCCCC
Systematic name (3)：
- [N-[[98-(38-メトキシ-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキサオクタトリアコンタン-1-イル)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96-ドトリアコンタオキサオクタノナコンタン-1-イル]オキシカルボニル]-2-[(1-O,2-O-ジオレオイル-L-グリセロ-3-ホスホ)オキシ]エチルアミン]アニオン
- (2R)-1-[(9Z)-オクタデカ-9-エノイルオキシ]-3-{[2-(2-オキソ-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,104,107,110,113,116,119,122,125,128,131,134,137,140-ヘキサテトラコンタオキサ-1-アザ-141n-1-イル)エチル ホスホナト]オキシ}プロパン-2-イル (9Z)-オクタデカ-9-エノアート
- (2R)-1-[(9Z)-octadec-9-enoyloxy]-3-{[2-(2-oxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,104,107,110,113,116,119,122,125,128,131,134,137,140-hexatetracontaoxa-1-aza-141n-1-yl)ethyl phosphonato]oxy}propan-2-yl (9Z)-octadec-9-enoate
- [N-[[98-(38-Methoxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-yl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96-dotriacontaoxaoctanonacontan-1-yl]oxycarbonyl]-2-[(1-O,2-O-dioleoyl-L-glycero-3-phospho)oxy]ethylamine]anion
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