Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026754
PROPERTIES
| NPAID | NPA026754 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Amantamide |
| FORMULA | C57H93N9O11 |
| MOLECULAR WEIGHT (Da) | 1080.4230 |
| ACCURATE MASS (Da) | 1079.6995 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | ZPZNPEATKLIUKY-SFHKMCQHSA-N |
| InChI | InChI=1S/C57H93N9O11/c1-16-23-45(67)60-47(36(7)8)56(75)63(13)43(31-35(5)6)50(69)59-40(30-34(3)4)53(72)65-28-21-26-41(65)54(73)64(14)49(37(9)10)52(71)61-48(38(11)17-2)51(70)58-33-46(68)62(12)44(32-39-24-19-18-20-25-39)55(74)66-29-22-27-42(66)57(76)77-15/h18-20,24-25,34-38,40-44,47-49H,16-17,21-23,26-33H2,1-15H3,(H,58,70)(H,59,69)(H,60,67)(H,61,71)/t38-,40-,41-,42-,43-,44+,47-,48-,49+/m0/s1 |
| SMILES | CCCC(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liang, Xiao; Luo, Danmeng; Yan, Jia-Lei; Rezaei, Mohammad A.; Salvador-Reyes, Lilibeth A.; Gunasekera, Sarath P.; Li, Chenglong; Ye, Tao; Paul, Valerie J.; Luesch, Hendrik Discovery of Amantamide, a Selective CXCR7 Agonist from Marine Cyanobacteria Organic Letters 2019 21 (6) 1622-1626. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b00163 | PMID | 30779584 |
