Corpeptin A
AlkaPlorer ID: AK377818
Synonym: None
IUPAC Name: N-[1-[1-[1-[1-[1-[1-[1-[1-[1-[3-[1-[1-[1-[1-[1-[[9-(2-aminoethyl)-3-butan-2-yl-5,8,11,14-tetrahydroxy-6-(hydroxymethyl)-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-15-yl]imino]-1-hydroxybut-2-en-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-3-hydroxyprop-1-en-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxybutan-2-yl]imino-1-hydroxybut-2-en-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]-1-[2-(1,3-dihydroxydecylideneamino)but-2-enoyl]pyrrolidine-2-carboximidic acid
Structure
SMILES: C=C(N=C(O)C(N=C(O)C(N=C(O)C(CCO)N=C(O)C(=CC)N=C(O)C(N=C(O)C(N=C(O)C(C)N=C(O)C(C)N=C(O)C(C)N=C(O)C1CCCN1C(=O)C(=CC)N=C(O)CC(O)CCCCCCC)C(C)C)C(C)C)C(C)C)C(C)CC)C(O)=NC(C)C(O)=NC(C)C(O)=NC(C)C(O)=NC(C(O)=NC(=CC)C(O)=NC1C(O)=NC(C)C(O)=NC(CCN)C(O)=NC(CO)C(O)=NC(C(C)CC)C(=O)OC1C)C(C)C
InChI: InChI=1S/C98H163N23O27/c1-26-32-33-34-35-37-61(124)44-69(125)108-64(31-6)97(146)121-42-36-38-68(121)90(139)105-55(20)80(129)101-54(19)79(128)104-59(24)84(133)115-72(48(11)12)93(142)117-71(47(9)10)92(141)109-62(29-4)85(134)112-66(40-43-122)88(137)116-73(49(13)14)94(143)118-74(50(15)27-2)95(144)106-56(21)81(130)102-52(17)77(126)100-53(18)78(127)103-58(23)83(132)114-70(46(7)8)91(140)110-63(30-5)86(135)120-76-60(25)148-98(147)75(51(16)28-3)119-89(138)67(45-123)113-87(136)65(39-41-99)111-82(131)57(22)107-96(76)145/h29-31,46-55,57-61,65-68,70-76,122-124H,21,26-28,32-45,99H2,1-20,22-25H3,(H,100,126)(H,101,129)(H,102,130)(H,103,127)(H,104,128)(H,105,139)(H,106,144)(H,107,145)(H,108,125)(H,109,141)(H,110,140)(H,111,131)(H,112,134)(H,113,136)(H,114,132)(H,115,133)(H,116,137)(H,117,142)(H,118,143)(H,119,138)(H,120,135)
InChIKey: FKHKGFPKDCFJTR-UHFFFAOYSA-N
Reference
Corceptins, new bioactive lipodepsipeptides from cultures of <i>Pseudomonas corrugata</i>
PubChem CID: 162885299
LOTUS: LTS0033636
COCONUT: CNP0151692.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas corrugata | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 2095.515999999998
TPSA？: 817.7100000000004
MolLogP？: 13.190999999999995
Number of H-Donors: 25
Number of H-Acceptors: 28
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|