[seco‐4/5][D-Asp3]MC‐LR
AlkaPlorer ID: AK095681
Synonym: None
IUPAC Name: (2R)-2-[[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-5-[[3-[[(2R)-1-[[(2S)-1-[[(1R)-1-carboxy-3-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-5-oxopentanoic acid
Structure
SMILES: C=C(C(O)=N[C@H](C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O)N(C)C(=O)CC[C@@H](N=C(O)[C@@H](C)[C@@H](N)/C=C/C(C)=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC)C(=O)O
InChI: InChI=1S/C48H74N10O13/c1-26(2)22-36(44(64)57-37(47(69)70)25-39(59)54-34(45(65)66)16-13-21-52-48(50)51)56-42(62)30(6)53-43(63)31(7)58(8)40(60)20-19-35(46(67)68)55-41(61)29(5)33(49)18-17-27(3)23-28(4)38(71-9)24-32-14-11-10-12-15-32/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25,49H2,1-6,8-9H3,(H,53,63)(H,54,59)(H,55,61)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H,69,70)(H4,50,51,52)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
InChIKey: LHOZHBTYSUFUSJ-MREVJOSWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dolichospermum flos-aquae | Dolichospermum | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 999.177
TPSA？: 392.31000000000006
MolLogP？: 4.697070000000013
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|